[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane

C19H21N3OP- — CID 134943118

IUPAC[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane
SMILESCC(C)[C@H]1COC(=C2C=CC=C2P(n2cccc2)n2cccc2)[N-]1
InChIInChI=1S/C19H21N3OP/c1-15(2)17-14-23-19(20-17)16-8-7-9-18(16)24(21-10-3-4-11-21)22-12-5-6-13-22/h3-13,15,17H,14H2,1-2H3/q-1/t17-/m1/s1
InChIKeyXBOYAUVCZGXFEF-QGZVFWFLSA-N
MW338.37 g/mol
LogP5.09
Rot. Bonds4

About [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane

[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane (PubChem CID 134943118) has the molecular formula C19H21N3OP- and a molecular weight of 338.37 g/mol. Its IUPAC name is [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Name[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane
PubChem CID134943118
Molecular FormulaC19H21N3OP-
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane
SMILESCC(C)[C@H]1COC(=C2C=CC=C2P(n2cccc2)n2cccc2)[N-]1
InChIInChI=1S/C19H21N3OP/c1-15(2)17-14-23-19(20-17)16-8-7-9-18(16)24(21-10-3-4-11-21)22-12-5-6-13-22/h3-13,15,17H,14H2,1-2H3/q-1/t17-/m1/s1
InChIKeyXBOYAUVCZGXFEF-QGZVFWFLSA-N
XLogP5.09
TPSA33.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane?
The IUPAC name of [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane (CID 134943118) is [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane is CC(C)[C@H]1COC(=C2C=CC=C2P(n2cccc2)n2cccc2)[N-]1.
What is the InChIKey of [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane?
The InChIKey is XBOYAUVCZGXFEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3OP/c1-15(2)17-14-23-19(20-17)16-8-7-9-18(16)24(21-10-3-4-11-21)22-12-5-6-13-22/h3-13,15,17H,14H2,1-2H3/q-1/t17-/m1/s1.
What are the key properties of [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane?
[5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane has a molecular weight of 338.37 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 134943118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).