N-[(3-methylidenecyclobutyl)methyl]propanamide

C9H15NO — CID 126745774

IUPACN-[(3-methylidenecyclobutyl)methyl]propanamide
SMILESC=C1CC(CNC(=O)CC)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)10-6-8-4-7(2)5-8/h8H,2-6H2,1H3,(H,10,11)
InChIKeyFBJSUTOFIYIPFT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-methylidenecyclobutyl)methyl]propanamide

N-[(3-methylidenecyclobutyl)methyl]propanamide (PubChem CID 126745774) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(3-methylidenecyclobutyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-methylidenecyclobutyl)methyl]propanamide
PubChem CID126745774
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(3-methylidenecyclobutyl)methyl]propanamide
SMILESC=C1CC(CNC(=O)CC)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)10-6-8-4-7(2)5-8/h8H,2-6H2,1H3,(H,10,11)
InChIKeyFBJSUTOFIYIPFT-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
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-[(3-methylidenecyclobutyl)methyl]propanamide?
The IUPAC name of N-[(3-methylidenecyclobutyl)methyl]propanamide (CID 126745774) is N-[(3-methylidenecyclobutyl)methyl]propanamide.
What is the SMILES notation for N-[(3-methylidenecyclobutyl)methyl]propanamide?
The canonical SMILES for N-[(3-methylidenecyclobutyl)methyl]propanamide is C=C1CC(CNC(=O)CC)C1.
What is the InChIKey of N-[(3-methylidenecyclobutyl)methyl]propanamide?
The InChIKey is FBJSUTOFIYIPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11)10-6-8-4-7(2)5-8/h8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[(3-methylidenecyclobutyl)methyl]propanamide?
N-[(3-methylidenecyclobutyl)methyl]propanamide has a molecular weight of 153.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylidenecyclobutyl)methyl]propanamide is sourced from PubChem (CID 126745774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).