(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide

C11H16N3OP — CID 143264856

IUPAC(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide
SMILES[H]/P=C/C(=C\C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H16N3OP/c1-2-10(8-16)11(15)13-4-3-6-14-7-5-12-9-14/h2,5,7-9,16H,3-4,6H2,1H3,(H,13,15)/b10-2+
InChIKeyIEAQTSWEFRUFMU-WTDSWWLTSA-N
MW237.24 g/mol
LogP1.28
Rot. Bonds6

About (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide

(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide (PubChem CID 143264856) has the molecular formula C11H16N3OP and a molecular weight of 237.24 g/mol. Its IUPAC name is (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide
PubChem CID143264856
Molecular FormulaC11H16N3OP
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide
SMILES[H]/P=C/C(=C\C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H16N3OP/c1-2-10(8-16)11(15)13-4-3-6-14-7-5-12-9-14/h2,5,7-9,16H,3-4,6H2,1H3,(H,13,15)/b10-2+
InChIKeyIEAQTSWEFRUFMU-WTDSWWLTSA-N
XLogP1.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
3-imidazol-1-ylpropylurea
CID 22179621
N-(4-imidazol-1-ylbutyl)but-2-enamide
CID 78968417
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide?
The IUPAC name of (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide (CID 143264856) is (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide.
What is the SMILES notation for (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide?
The canonical SMILES for (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide is [H]/P=C/C(=C\C)C(=O)NCCCn1ccnc1.
What is the InChIKey of (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide?
The InChIKey is IEAQTSWEFRUFMU-WTDSWWLTSA-N. The full InChI is InChI=1S/C11H16N3OP/c1-2-10(8-16)11(15)13-4-3-6-14-7-5-12-9-14/h2,5,7-9,16H,3-4,6H2,1H3,(H,13,15)/b10-2+.
What are the key properties of (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide?
(Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide has a molecular weight of 237.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-imidazol-1-ylpropyl)-2-(phosphanylidenemethyl)but-2-enamide is sourced from PubChem (CID 143264856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).