4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile

C17H22N4 — CID 70673473

IUPAC4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile
SMILESC=C1N=CC(C(=C)NCCCC#N)=C1N/C(=C\C)C1CC1
InChIInChI=1S/C17H22N4/c1-4-16(14-7-8-14)21-17-13(3)20-11-15(17)12(2)19-10-6-5-9-18/h4,11,14,19,21H,2-3,5-8,10H2,1H3/b16-4-
InChIKeyFAMIVWKVKGFCQY-XRVIQIRUSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds8

About 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile

4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile (PubChem CID 70673473) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile.

Molecular Properties

Compound Name4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile
PubChem CID70673473
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile
SMILESC=C1N=CC(C(=C)NCCCC#N)=C1N/C(=C\C)C1CC1
InChIInChI=1S/C17H22N4/c1-4-16(14-7-8-14)21-17-13(3)20-11-15(17)12(2)19-10-6-5-9-18/h4,11,14,19,21H,2-3,5-8,10H2,1H3/b16-4-
InChIKeyFAMIVWKVKGFCQY-XRVIQIRUSA-N
XLogP3.15
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[amino(cyclopropylidene)methyl]-N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidenepyrrol-3-amine
CID 70673464
N-[(Z)-1-cyclopropylbut-1-enyl]-2-methylidene-4-prop-1-en-2-ylpyrrol-3-amine
CID 70673536

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile?
The IUPAC name of 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile (CID 70673473) is 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile.
What is the SMILES notation for 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile?
The canonical SMILES for 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile is C=C1N=CC(C(=C)NCCCC#N)=C1N/C(=C\C)C1CC1.
What is the InChIKey of 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile?
The InChIKey is FAMIVWKVKGFCQY-XRVIQIRUSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-16(14-7-8-14)21-17-13(3)20-11-15(17)12(2)19-10-6-5-9-18/h4,11,14,19,21H,2-3,5-8,10H2,1H3/b16-4-.
What are the key properties of 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile?
4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[[(Z)-1-cyclopropylprop-1-enyl]amino]-5-methylidenepyrrol-3-yl]ethenylamino]butanenitrile is sourced from PubChem (CID 70673473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).