1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione

C14H23NO2 — CID 20713838

IUPAC1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione
SMILESCC1CCCCCN1C(=O)C(=O)C1CCCC1
InChIInChI=1S/C14H23NO2/c1-11-7-3-2-6-10-15(11)14(17)13(16)12-8-4-5-9-12/h11-12H,2-10H2,1H3
InChIKeyQHXZSUNQBLPDKF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds2

About 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione

1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione (PubChem CID 20713838) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione
PubChem CID20713838
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione
SMILESCC1CCCCCN1C(=O)C(=O)C1CCCC1
InChIInChI=1S/C14H23NO2/c1-11-7-3-2-6-10-15(11)14(17)13(16)12-8-4-5-9-12/h11-12H,2-10H2,1H3
InChIKeyQHXZSUNQBLPDKF-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione?
The IUPAC name of 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione (CID 20713838) is 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione is CC1CCCCCN1C(=O)C(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione?
The InChIKey is QHXZSUNQBLPDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-3-2-6-10-15(11)14(17)13(16)12-8-4-5-9-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione?
1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione has a molecular weight of 237.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methylazepan-1-yl)ethane-1,2-dione is sourced from PubChem (CID 20713838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).