1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile

C11H14N2 — CID 90298579

IUPAC1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile
SMILESC=C(C)/C=N/C(=C\C)C1(C#N)CC1
InChIInChI=1S/C11H14N2/c1-4-10(13-7-9(2)3)11(8-12)5-6-11/h4,7H,2,5-6H2,1,3H3/b10-4-,13-7+
InChIKeyNHEIPKGASUFDSY-ZIDUXJNWSA-N
MW174.25 g/mol
LogP2.84
Rot. Bonds3

About 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile

1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile (PubChem CID 90298579) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile
PubChem CID90298579
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile
SMILESC=C(C)/C=N/C(=C\C)C1(C#N)CC1
InChIInChI=1S/C11H14N2/c1-4-10(13-7-9(2)3)11(8-12)5-6-11/h4,7H,2,5-6H2,1,3H3/b10-4-,13-7+
InChIKeyNHEIPKGASUFDSY-ZIDUXJNWSA-N
XLogP2.84
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile (CID 90298579) is 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile is C=C(C)/C=N/C(=C\C)C1(C#N)CC1.
What is the InChIKey of 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile?
The InChIKey is NHEIPKGASUFDSY-ZIDUXJNWSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-10(13-7-9(2)3)11(8-12)5-6-11/h4,7H,2,5-6H2,1,3H3/b10-4-,13-7+.
What are the key properties of 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile?
1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2-methylprop-2-enylideneamino)prop-1-enyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 90298579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).