N-(4-methylidenecyclohexyl)cyclopropanecarboxamide

C11H17NO — CID 58902731

IUPACN-(4-methylidenecyclohexyl)cyclopropanecarboxamide
SMILESC=C1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C11H17NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h9-10H,1-7H2,(H,12,13)
InChIKeyMZNDRUAWCVSZGX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds2

About N-(4-methylidenecyclohexyl)cyclopropanecarboxamide

N-(4-methylidenecyclohexyl)cyclopropanecarboxamide (PubChem CID 58902731) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(4-methylidenecyclohexyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methylidenecyclohexyl)cyclopropanecarboxamide
PubChem CID58902731
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(4-methylidenecyclohexyl)cyclopropanecarboxamide
SMILESC=C1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C11H17NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h9-10H,1-7H2,(H,12,13)
InChIKeyMZNDRUAWCVSZGX-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(4-methylidenecyclohexyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-methylidenecyclohexyl)cyclopropanecarboxamide (CID 58902731) is N-(4-methylidenecyclohexyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-methylidenecyclohexyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-methylidenecyclohexyl)cyclopropanecarboxamide is C=C1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-(4-methylidenecyclohexyl)cyclopropanecarboxamide?
The InChIKey is MZNDRUAWCVSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h9-10H,1-7H2,(H,12,13).
What are the key properties of N-(4-methylidenecyclohexyl)cyclopropanecarboxamide?
N-(4-methylidenecyclohexyl)cyclopropanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenecyclohexyl)cyclopropanecarboxamide is sourced from PubChem (CID 58902731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).