1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene

C15H26N2O2 — CID 142011147

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene
SMILESC=CC.O=C(CN1CCCCCC1=O)N1CCCC1
InChIInChI=1S/C12H20N2O2.C3H6/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13;1-3-2/h1-10H2;3H,1H2,2H3
InChIKeyGQIRDURTQXXBMN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.20
Rot. Bonds2

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene

1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene (PubChem CID 142011147) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene
PubChem CID142011147
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene
SMILESC=CC.O=C(CN1CCCCCC1=O)N1CCCC1
InChIInChI=1S/C12H20N2O2.C3H6/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13;1-3-2/h1-10H2;3H,1H2,2H3
InChIKeyGQIRDURTQXXBMN-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene (CID 142011147) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene is C=CC.O=C(CN1CCCCCC1=O)N1CCCC1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene?
The InChIKey is GQIRDURTQXXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C3H6/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13;1-3-2/h1-10H2;3H,1H2,2H3.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene?
1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene has a molecular weight of 266.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene is sourced from PubChem (CID 142011147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).