N-methylcyclopent-3-en-1-imine

C6H9N — CID 57004337

IUPACN-methylcyclopent-3-en-1-imine
SMILESCN=C1CC=CC1
InChIInChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChIKeyYKXQEVZXFSQSAL-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About N-methylcyclopent-3-en-1-imine

N-methylcyclopent-3-en-1-imine (PubChem CID 57004337) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-methylcyclopent-3-en-1-imine.

Molecular Properties

Compound NameN-methylcyclopent-3-en-1-imine
PubChem CID57004337
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-methylcyclopent-3-en-1-imine
SMILESCN=C1CC=CC1
InChIInChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChIKeyYKXQEVZXFSQSAL-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
N-methylpent-4-en-2-imine
CID 91448417
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohex-2-en-1-imine
CID 20718417
5-ethyl-2H-pyrrole
CID 20725724
5-ethyl-1-methyl-2H-pyrrol-1-ium
CID 20749702
6-Methyl-2,5-dihydropyridine
CID 56607220
N-methylcyclohex-3-en-1-imine
CID 56975694
N-prop-2-enylcyclopent-3-en-1-imine
CID 57285270
6-Ethyl-2,5-dihydropyridine
CID 57319207

Frequently Asked Questions

What is the IUPAC name of N-methylcyclopent-3-en-1-imine?
The IUPAC name of N-methylcyclopent-3-en-1-imine (CID 57004337) is N-methylcyclopent-3-en-1-imine.
What is the SMILES notation for N-methylcyclopent-3-en-1-imine?
The canonical SMILES for N-methylcyclopent-3-en-1-imine is CN=C1CC=CC1.
What is the InChIKey of N-methylcyclopent-3-en-1-imine?
The InChIKey is YKXQEVZXFSQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-3H,4-5H2,1H3.
What are the key properties of N-methylcyclopent-3-en-1-imine?
N-methylcyclopent-3-en-1-imine has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclopent-3-en-1-imine is sourced from PubChem (CID 57004337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).