N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine

C9H11N — CID 89356034

IUPACN-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine
SMILESC=C/N=C/C1=C(C)CC=C1
InChIInChI=1S/C9H11N/c1-3-10-7-9-6-4-5-8(9)2/h3-4,6-7H,1,5H2,2H3/b10-7+
InChIKeyAEOLVUHOUHMINS-JXMROGBWSA-N
MW133.19 g/mol
LogP2.48
Rot. Bonds2

About N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine

N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine (PubChem CID 89356034) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine
PubChem CID89356034
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine
SMILESC=C/N=C/C1=C(C)CC=C1
InChIInChI=1S/C9H11N/c1-3-10-7-9-6-4-5-8(9)2/h3-4,6-7H,1,5H2,2H3/b10-7+
InChIKeyAEOLVUHOUHMINS-JXMROGBWSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine?
The IUPAC name of N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine (CID 89356034) is N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine.
What is the SMILES notation for N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine?
The canonical SMILES for N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine is C=C/N=C/C1=C(C)CC=C1.
What is the InChIKey of N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine?
The InChIKey is AEOLVUHOUHMINS-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11N/c1-3-10-7-9-6-4-5-8(9)2/h3-4,6-7H,1,5H2,2H3/b10-7+.
What are the key properties of N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine?
N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine has a molecular weight of 133.19 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(2-methylcyclopenta-1,4-dien-1-yl)methanimine is sourced from PubChem (CID 89356034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).