(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide

C13H19N3O — CID 108861031

IUPAC(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NCCC
InChIInChI=1S/C13H19N3O/c1-4-7-15-11-12(10-14)13(17)16(8-5-2)9-6-3/h5-6,11,15H,2-4,7-9H2,1H3/b12-11-
InChIKeyPHKVRDQKIVZKOJ-QXMHVHEDSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds8

About (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide

(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide (PubChem CID 108861031) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
PubChem CID108861031
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\NCCC
InChIInChI=1S/C13H19N3O/c1-4-7-15-11-12(10-14)13(17)16(8-5-2)9-6-3/h5-6,11,15H,2-4,7-9H2,1H3/b12-11-
InChIKeyPHKVRDQKIVZKOJ-QXMHVHEDSA-N
XLogP1.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(pentylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861176
(Z)-3-(3-butoxypropylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861076
4-[[(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108861100
(Z)-3-(butan-2-ylamino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861069
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861367
(Z)-3-[2-(2-bromophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861360
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(pentylamino)prop-2-enamide
CID 108844450
(Z)-2-cyano-3-(2,6-dimethylanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861312
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108861168
(Z)-3-[tert-butyl(ethyl)amino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861281
(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide (CID 108861031) is (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\NCCC.
What is the InChIKey of (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide?
The InChIKey is PHKVRDQKIVZKOJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-7-15-11-12(10-14)13(17)16(8-5-2)9-6-3/h5-6,11,15H,2-4,7-9H2,1H3/b12-11-.
What are the key properties of (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide?
(Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N,N-bis(prop-2-enyl)-3-(propylamino)prop-2-enamide is sourced from PubChem (CID 108861031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).