chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene

C27H35CrN2O4- — CID 10505589

IUPACchromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene
SMILESC=C[CH2-].CC(C)[C@H]1CO/C(=C2/C=CC=CC2=O)N1.CC(C)[C@H]1CO/C(=C2\C=CC=CC2=O)N1.[Cr]
InChIInChI=1S/2C12H15NO2.C3H5.Cr/c2*1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14;1-3-2;/h2*3-6,8,10,13H,7H2,1-2H3;3H,1-2H2;/q;;-1;/b12-9+;12-9-;;/t2*10-;;/m11../s1
InChIKeyQPDXOUWDBFAGTJ-FUXBKNGHSA-N
MW503.58 g/mol
LogP4.08
Rot. Bonds2

About chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene

chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene (PubChem CID 10505589) has the molecular formula C27H35CrN2O4- and a molecular weight of 503.58 g/mol. Its IUPAC name is chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene.

Molecular Properties

Compound Namechromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene
PubChem CID10505589
Molecular FormulaC27H35CrN2O4-
Molecular Weight503.58 g/mol
Exact Mass503.20
IUPAC Namechromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene
SMILESC=C[CH2-].CC(C)[C@H]1CO/C(=C2/C=CC=CC2=O)N1.CC(C)[C@H]1CO/C(=C2\C=CC=CC2=O)N1.[Cr]
InChIInChI=1S/2C12H15NO2.C3H5.Cr/c2*1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14;1-3-2;/h2*3-6,8,10,13H,7H2,1-2H3;3H,1-2H2;/q;;-1;/b12-9+;12-9-;;/t2*10-;;/m11../s1
InChIKeyQPDXOUWDBFAGTJ-FUXBKNGHSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene?
The IUPAC name of chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene (CID 10505589) is chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene.
What is the SMILES notation for chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene?
The canonical SMILES for chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene is C=C[CH2-].CC(C)[C@H]1CO/C(=C2/C=CC=CC2=O)N1.CC(C)[C@H]1CO/C(=C2\C=CC=CC2=O)N1.[Cr].
What is the InChIKey of chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene?
The InChIKey is QPDXOUWDBFAGTJ-FUXBKNGHSA-N. The full InChI is InChI=1S/2C12H15NO2.C3H5.Cr/c2*1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14;1-3-2;/h2*3-6,8,10,13H,7H2,1-2H3;3H,1-2H2;/q;;-1;/b12-9+;12-9-;;/t2*10-;;/m11../s1.
What are the key properties of chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene?
chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene has a molecular weight of 503.58 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;(6E)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;(6Z)-6-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one;prop-1-ene is sourced from PubChem (CID 10505589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).