(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone

C11H17NO — CID 126992987

IUPAC(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H17NO/c1-9-3-7-12(8-4-9)10(13)11(2)5-6-11/h1,3-8H2,2H3
InChIKeyUHXAEJULBHZBPW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds1

About (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone

(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 126992987) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
PubChem CID126992987
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H17NO/c1-9-3-7-12(8-4-9)10(13)11(2)5-6-11/h1,3-8H2,2H3
InChIKeyUHXAEJULBHZBPW-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone (CID 126992987) is (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)C2(C)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is UHXAEJULBHZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-3-7-12(8-4-9)10(13)11(2)5-6-11/h1,3-8H2,2H3.
What are the key properties of (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone?
(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 179.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 126992987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).