1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile

C11H16N2 — CID 123437398

IUPAC1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile
SMILESC/C=C\C(CC)=N\C1(C#N)CCC1
InChIInChI=1S/C11H16N2/c1-3-6-10(4-2)13-11(9-12)7-5-8-11/h3,6H,4-5,7-8H2,1-2H3/b6-3-,13-10+
InChIKeyWHFNFYNITSCGAV-HGUQHVECSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile

1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile (PubChem CID 123437398) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile
PubChem CID123437398
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile
SMILESC/C=C\C(CC)=N\C1(C#N)CCC1
InChIInChI=1S/C11H16N2/c1-3-6-10(4-2)13-11(9-12)7-5-8-11/h3,6H,4-5,7-8H2,1-2H3/b6-3-,13-10+
InChIKeyWHFNFYNITSCGAV-HGUQHVECSA-N
XLogP2.86
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
CID 123206281

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile (CID 123437398) is 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile is C/C=C\C(CC)=N\C1(C#N)CCC1.
What is the InChIKey of 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile?
The InChIKey is WHFNFYNITSCGAV-HGUQHVECSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-6-10(4-2)13-11(9-12)7-5-8-11/h3,6H,4-5,7-8H2,1-2H3/b6-3-,13-10+.
What are the key properties of 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile?
1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile is sourced from PubChem (CID 123437398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).