(2Z)-2-(methylaminomethylidene)cyclopentan-1-one

C7H11NO — CID 58502665

IUPAC(2Z)-2-(methylaminomethylidene)cyclopentan-1-one
SMILESCN/C=C1/CCCC1=O
InChIInChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5,8H,2-4H2,1H3/b6-5-
InChIKeyZRCYWZUWJRRKTJ-WAYWQWQTSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About (2Z)-2-(methylaminomethylidene)cyclopentan-1-one

(2Z)-2-(methylaminomethylidene)cyclopentan-1-one (PubChem CID 58502665) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z)-2-(methylaminomethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-(methylaminomethylidene)cyclopentan-1-one
PubChem CID58502665
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2Z)-2-(methylaminomethylidene)cyclopentan-1-one
SMILESCN/C=C1/CCCC1=O
InChIInChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5,8H,2-4H2,1H3/b6-5-
InChIKeyZRCYWZUWJRRKTJ-WAYWQWQTSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylaminomethylidene)cyclopentan-1-one?
The IUPAC name of (2Z)-2-(methylaminomethylidene)cyclopentan-1-one (CID 58502665) is (2Z)-2-(methylaminomethylidene)cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-(methylaminomethylidene)cyclopentan-1-one?
The canonical SMILES for (2Z)-2-(methylaminomethylidene)cyclopentan-1-one is CN/C=C1/CCCC1=O.
What is the InChIKey of (2Z)-2-(methylaminomethylidene)cyclopentan-1-one?
The InChIKey is ZRCYWZUWJRRKTJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-6-3-2-4-7(6)9/h5,8H,2-4H2,1H3/b6-5-.
What are the key properties of (2Z)-2-(methylaminomethylidene)cyclopentan-1-one?
(2Z)-2-(methylaminomethylidene)cyclopentan-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylaminomethylidene)cyclopentan-1-one is sourced from PubChem (CID 58502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).