(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine

C11H17N — CID 177053781

IUPAC(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine
SMILES[H]/N=C/C1=C(C=C)CCC1C(C)C
InChIInChI=1S/C11H17N/c1-4-9-5-6-10(8(2)3)11(9)7-12/h4,7-8,10,12H,1,5-6H2,2-3H3/b12-7+
InChIKeyDLVROLKPPHVXPQ-KPKJPENVSA-N
MW163.26 g/mol
LogP3.18
Rot. Bonds3

About (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine

(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine (PubChem CID 177053781) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine.

Molecular Properties

Compound Name(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine
PubChem CID177053781
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine
SMILES[H]/N=C/C1=C(C=C)CCC1C(C)C
InChIInChI=1S/C11H17N/c1-4-9-5-6-10(8(2)3)11(9)7-12/h4,7-8,10,12H,1,5-6H2,2-3H3/b12-7+
InChIKeyDLVROLKPPHVXPQ-KPKJPENVSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine?
The IUPAC name of (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine (CID 177053781) is (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine.
What is the SMILES notation for (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine?
The canonical SMILES for (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine is [H]/N=C/C1=C(C=C)CCC1C(C)C.
What is the InChIKey of (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine?
The InChIKey is DLVROLKPPHVXPQ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9-5-6-10(8(2)3)11(9)7-12/h4,7-8,10,12H,1,5-6H2,2-3H3/b12-7+.
What are the key properties of (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine?
(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine is sourced from PubChem (CID 177053781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).