3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one

C11H17NO — CID 143906483

IUPAC3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one
SMILESC/C=C\C(C)C1C(=O)CC/C1=N\C
InChIInChI=1S/C11H17NO/c1-4-5-8(2)11-9(12-3)6-7-10(11)13/h4-5,8,11H,6-7H2,1-3H3/b5-4-,12-9+
InChIKeyZNIXHABIRMERGZ-KVWUJKKISA-N
MW179.26 g/mol
LogP2.25
Rot. Bonds2

About 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one

3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one (PubChem CID 143906483) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one
PubChem CID143906483
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one
SMILESC/C=C\C(C)C1C(=O)CC/C1=N\C
InChIInChI=1S/C11H17NO/c1-4-5-8(2)11-9(12-3)6-7-10(11)13/h4-5,8,11H,6-7H2,1-3H3/b5-4-,12-9+
InChIKeyZNIXHABIRMERGZ-KVWUJKKISA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one?
The IUPAC name of 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one (CID 143906483) is 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one.
What is the SMILES notation for 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one?
The canonical SMILES for 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one is C/C=C\C(C)C1C(=O)CC/C1=N\C.
What is the InChIKey of 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one?
The InChIKey is ZNIXHABIRMERGZ-KVWUJKKISA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-8(2)11-9(12-3)6-7-10(11)13/h4-5,8,11H,6-7H2,1-3H3/b5-4-,12-9+.
What are the key properties of 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one?
3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-[(Z)-pent-3-en-2-yl]cyclopentan-1-one is sourced from PubChem (CID 143906483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).