N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine

C9H13N — CID 138646774

IUPACN-(2-methylcyclopenten-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CCC1
InChIInChI=1S/C9H13N/c1-3-7-10-9-6-4-5-8(9)2/h3,7H,1,4-6H2,2H3/b10-7+
InChIKeyUWXKHFRRIPXTIU-JXMROGBWSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds2

About N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine

N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine (PubChem CID 138646774) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-methylcyclopenten-1-yl)prop-2-en-1-imine
PubChem CID138646774
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-(2-methylcyclopenten-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CCC1
InChIInChI=1S/C9H13N/c1-3-7-10-9-6-4-5-8(9)2/h3,7H,1,4-6H2,2H3/b10-7+
InChIKeyUWXKHFRRIPXTIU-JXMROGBWSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
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-(2-methylcyclopenten-1-yl)prop-2-en-1-imine?
The IUPAC name of N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine (CID 138646774) is N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)CCC1.
What is the InChIKey of N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine?
The InChIKey is UWXKHFRRIPXTIU-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13N/c1-3-7-10-9-6-4-5-8(9)2/h3,7H,1,4-6H2,2H3/b10-7+.
What are the key properties of N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine?
N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopenten-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 138646774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).