3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one

C11H19NO — CID 139527322

IUPAC3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C/CC1C(=O)CCC1CN
InChIInChI=1S/C11H19NO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h3-4,9-10H,2,5-8,12H2,1H3/b4-3+
InChIKeyOWXOAPREUUFMSG-ONEGZZNKSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds4

About 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one

3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one (PubChem CID 139527322) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
PubChem CID139527322
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C/CC1C(=O)CCC1CN
InChIInChI=1S/C11H19NO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h3-4,9-10H,2,5-8,12H2,1H3/b4-3+
InChIKeyOWXOAPREUUFMSG-ONEGZZNKSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The IUPAC name of 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one (CID 139527322) is 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The canonical SMILES for 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one is CC/C=C/CC1C(=O)CCC1CN.
What is the InChIKey of 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The InChIKey is OWXOAPREUUFMSG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-5-10-9(8-12)6-7-11(10)13/h3-4,9-10H,2,5-8,12H2,1H3/b4-3+.
What are the key properties of 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 139527322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).