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

C12H21NO — CID 139527293

IUPAC3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C/CC1C(=O)CCC1CNC
InChIInChI=1S/C12H21NO/c1-3-4-5-6-11-10(9-13-2)7-8-12(11)14/h4-5,10-11,13H,3,6-9H2,1-2H3/b5-4+
InChIKeyYUOQZQKMJUEELC-SNAWJCMRSA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds5

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

3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one (PubChem CID 139527293) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
PubChem CID139527293
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
SMILESCC/C=C/CC1C(=O)CCC1CNC
InChIInChI=1S/C12H21NO/c1-3-4-5-6-11-10(9-13-2)7-8-12(11)14/h4-5,10-11,13H,3,6-9H2,1-2H3/b5-4+
InChIKeyYUOQZQKMJUEELC-SNAWJCMRSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
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-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The IUPAC name of 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one (CID 139527293) is 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The canonical SMILES for 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one is CC/C=C/CC1C(=O)CCC1CNC.
What is the InChIKey of 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
The InChIKey is YUOQZQKMJUEELC-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-6-11-10(9-13-2)7-8-12(11)14/h4-5,10-11,13H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one?
3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 139527293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).