N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide

C12H20N2O2 — CID 53384971

IUPACN-(2-oxo-1-propylazepan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCN(CCC)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-8-14-9-6-5-7-10(12(14)16)13-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,13,15)
InChIKeyJIMRJELJFCWUAP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds4

About N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide

N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide (PubChem CID 53384971) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-1-propylazepan-3-yl)prop-2-enamide
PubChem CID53384971
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-oxo-1-propylazepan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCCN(CCC)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-8-14-9-6-5-7-10(12(14)16)13-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,13,15)
InChIKeyJIMRJELJFCWUAP-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
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-(2-oxo-1-propylazepan-3-yl)prop-2-enamide?
The IUPAC name of N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide (CID 53384971) is N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide is C=CC(=O)NC1CCCCN(CCC)C1=O.
What is the InChIKey of N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide?
The InChIKey is JIMRJELJFCWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-8-14-9-6-5-7-10(12(14)16)13-11(15)4-2/h4,10H,2-3,5-9H2,1H3,(H,13,15).
What are the key properties of N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide?
N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide is sourced from PubChem (CID 53384971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).