2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile

C8H8N2 — CID 59083003

IUPAC2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile
SMILESC/C=N/C1=C(C#N)C=CC1
InChIInChI=1S/C8H8N2/c1-2-10-8-5-3-4-7(8)6-9/h2-4H,5H2,1H3/b10-2+
InChIKeyQCPHAZAPOBEGOM-WTDSWWLTSA-N
MW132.17 g/mol
LogP1.81
Rot. Bonds1

About 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile

2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile (PubChem CID 59083003) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile
PubChem CID59083003
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile
SMILESC/C=N/C1=C(C#N)C=CC1
InChIInChI=1S/C8H8N2/c1-2-10-8-5-3-4-7(8)6-9/h2-4H,5H2,1H3/b10-2+
InChIKeyQCPHAZAPOBEGOM-WTDSWWLTSA-N
XLogP1.81
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.81
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

(2E,4E)-2-(butylideneamino)-3-(trifluoromethyl)hexa-2,4-dienenitrile
CID 155132210
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]ethanimine
CID 89502557
(Z,2E)-2-(2-methyliminoethylidene)pent-3-enenitrile
CID 89984254
N-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]prop-2-en-1-imine
CID 90126351
3H-azepine-6,7-dicarbonitrile
CID 91010476
7-(Ethylideneamino)-2,5,6-trimethylhepta-2,4,6-trienenitrile
CID 123941357
4-[(1Z)-buta-1,3-dienyl]-5-methyl-3H-pyrrole
CID 126703556
N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine
CID 126734370
N-[(3Z)-4-methylhexa-3,5-dien-3-yl]prop-2-en-1-imine
CID 126758962
N-[(2E,4Z)-3-ethenylhexa-2,4-dien-2-yl]ethanimine
CID 130232927
N-[(4Z)-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]ethanimine
CID 130267100
5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
CID 130368424

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile?
The IUPAC name of 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile (CID 59083003) is 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile.
What is the SMILES notation for 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile?
The canonical SMILES for 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile is C/C=N/C1=C(C#N)C=CC1.
What is the InChIKey of 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile?
The InChIKey is QCPHAZAPOBEGOM-WTDSWWLTSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-10-8-5-3-4-7(8)6-9/h2-4H,5H2,1H3/b10-2+.
What are the key properties of 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile?
2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile is sourced from PubChem (CID 59083003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).