1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine

C9H12N2 — CID 145144025

IUPAC1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine
SMILESC=C(N)C1=C(/N=C/C)CC=C1
InChIInChI=1S/C9H12N2/c1-3-11-9-6-4-5-8(9)7(2)10/h3-5H,2,6,10H2,1H3/b11-3+
InChIKeyLDOQNJKSKRINLR-QDEBKDIKSA-N
MW148.21 g/mol
LogP1.76
Rot. Bonds2

About 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine

1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine (PubChem CID 145144025) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine.

Molecular Properties

Compound Name1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine
PubChem CID145144025
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine
SMILESC=C(N)C1=C(/N=C/C)CC=C1
InChIInChI=1S/C9H12N2/c1-3-11-9-6-4-5-8(9)7(2)10/h3-5H,2,6,10H2,1H3/b11-3+
InChIKeyLDOQNJKSKRINLR-QDEBKDIKSA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine?
The IUPAC name of 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine (CID 145144025) is 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine.
What is the SMILES notation for 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine?
The canonical SMILES for 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine is C=C(N)C1=C(/N=C/C)CC=C1.
What is the InChIKey of 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine?
The InChIKey is LDOQNJKSKRINLR-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-11-9-6-4-5-8(9)7(2)10/h3-5H,2,6,10H2,1H3/b11-3+.
What are the key properties of 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine?
1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine has a molecular weight of 148.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine is sourced from PubChem (CID 145144025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).