(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate

C13H19N2O- — CID 134965715

IUPAC(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
SMILESCN(C)CC1=CC=C/C1=C/C=C(\[O-])N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/p-1/b11-8-,13-9-
InChIKeyDNTWLCUMCVGNFC-PHRMNRNWSA-M
MW219.31 g/mol
LogP0.73
Rot. Bonds4

About (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate

(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate (PubChem CID 134965715) has the molecular formula C13H19N2O- and a molecular weight of 219.31 g/mol. Its IUPAC name is (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate.

Molecular Properties

Compound Name(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
PubChem CID134965715
Molecular FormulaC13H19N2O-
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
SMILESCN(C)CC1=CC=C/C1=C/C=C(\[O-])N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/p-1/b11-8-,13-9-
InChIKeyDNTWLCUMCVGNFC-PHRMNRNWSA-M
XLogP0.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate with MolForge

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Related Compounds

(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 89220007
(4Z)-4-[2-(2,5-dihydropyrrol-1-yl)ethylidene]-1-methyl-2,3-dihydropyridine
CID 142277385
cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)
CID 176895517
Trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium
CID 102201326
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
CID 134965716
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
CID 134966485
1-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 137194550

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate?
The IUPAC name of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate (CID 134965715) is (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate.
What is the SMILES notation for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate?
The canonical SMILES for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate is CN(C)CC1=CC=C/C1=C/C=C(\[O-])N(C)C.
What is the InChIKey of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate?
The InChIKey is DNTWLCUMCVGNFC-PHRMNRNWSA-M. The full InChI is InChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/p-1/b11-8-,13-9-.
What are the key properties of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate?
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate has a molecular weight of 219.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate is sourced from PubChem (CID 134965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).