N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide

C10H18N2O — CID 146531618

IUPACN-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(CNCC)C1
InChIInChI=1S/C10H18N2O/c1-3-10(13)12-9-5-8(6-9)7-11-4-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyRPFQKWCWZUHWBB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds5

About N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide

N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide (PubChem CID 146531618) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide
PubChem CID146531618
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(CNCC)C1
InChIInChI=1S/C10H18N2O/c1-3-10(13)12-9-5-8(6-9)7-11-4-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyRPFQKWCWZUHWBB-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide?
The IUPAC name of N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide (CID 146531618) is N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide?
The canonical SMILES for N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide is C=CC(=O)NC1CC(CNCC)C1.
What is the InChIKey of N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide?
The InChIKey is RPFQKWCWZUHWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(13)12-9-5-8(6-9)7-11-4-2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13).
What are the key properties of N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide?
N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)cyclobutyl]prop-2-enamide is sourced from PubChem (CID 146531618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).