N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide

C9H13NO — CID 53484299

IUPACN-cyclopropyl-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NC2CC2)C1
InChIInChI=1S/C9H13NO/c1-6-4-7(5-6)9(11)10-8-2-3-8/h7-8H,1-5H2,(H,10,11)
InChIKeyDJJFCSZUKBBDLR-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds2

About N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide

N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide (PubChem CID 53484299) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methylidenecyclobutane-1-carboxamide
PubChem CID53484299
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-cyclopropyl-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NC2CC2)C1
InChIInChI=1S/C9H13NO/c1-6-4-7(5-6)9(11)10-8-2-3-8/h7-8H,1-5H2,(H,10,11)
InChIKeyDJJFCSZUKBBDLR-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
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-cyclopropyl-3-methylidenecyclobutane-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide (CID 53484299) is N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide is C=C1CC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide?
The InChIKey is DJJFCSZUKBBDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-7(5-6)9(11)10-8-2-3-8/h7-8H,1-5H2,(H,10,11).
What are the key properties of N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide?
N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide is sourced from PubChem (CID 53484299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).