(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile

C9H12N2 — CID 123749393

IUPAC(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile
SMILESC/N=C(C)/C(C#N)=C/C1CC1
InChIInChI=1S/C9H12N2/c1-7(11-2)9(6-10)5-8-3-4-8/h5,8H,3-4H2,1-2H3/b9-5+,11-7+
InChIKeyUDMQTSMDYHOEHT-TWHYHQCRSA-N
MW148.21 g/mol
LogP1.94
Rot. Bonds2

About (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile

(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile (PubChem CID 123749393) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile.

Molecular Properties

Compound Name(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile
PubChem CID123749393
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile
SMILESC/N=C(C)/C(C#N)=C/C1CC1
InChIInChI=1S/C9H12N2/c1-7(11-2)9(6-10)5-8-3-4-8/h5,8H,3-4H2,1-2H3/b9-5+,11-7+
InChIKeyUDMQTSMDYHOEHT-TWHYHQCRSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enenitrile
CID 123328094
2,6-Dimethyl-2,3-dihydropyridine-3,5-dicarbonitrile
CID 123442377
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
5-Methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
CID 123764276
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
CID 123919888
3,6-Dimethyl-2,3-dihydropyridine-5-carbonitrile
CID 137427570
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-methylpenta-2,4-dienenitrile
CID 139385990
(E)-2-(C,N-dimethylcarbonimidoyl)but-2-enenitrile;ethane
CID 142380159
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enenitrile
CID 143444705
(E)-2-(C,N-dimethylcarbonimidoyl)but-2-enenitrile
CID 142380160

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile?
The IUPAC name of (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile (CID 123749393) is (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile.
What is the SMILES notation for (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile?
The canonical SMILES for (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile is C/N=C(C)/C(C#N)=C/C1CC1.
What is the InChIKey of (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile?
The InChIKey is UDMQTSMDYHOEHT-TWHYHQCRSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(11-2)9(6-10)5-8-3-4-8/h5,8H,3-4H2,1-2H3/b9-5+,11-7+.
What are the key properties of (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile?
(2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile has a molecular weight of 148.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopropylmethylidene)-3-methyliminobutanenitrile is sourced from PubChem (CID 123749393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).