1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one

C15H27NO2 — CID 143541081

IUPAC1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
SMILESCCCC1CC(C)C(C(=O)CC)C(C)N(C)C1=O
InChIInChI=1S/C15H27NO2/c1-6-8-12-9-10(3)14(13(17)7-2)11(4)16(5)15(12)18/h10-12,14H,6-9H2,1-5H3
InChIKeyHJOODHUBTDZZOG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.88
Rot. Bonds4

About 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one

1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one (PubChem CID 143541081) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one.

Molecular Properties

Compound Name1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
PubChem CID143541081
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
SMILESCCCC1CC(C)C(C(=O)CC)C(C)N(C)C1=O
InChIInChI=1S/C15H27NO2/c1-6-8-12-9-10(3)14(13(17)7-2)11(4)16(5)15(12)18/h10-12,14H,6-9H2,1-5H3
InChIKeyHJOODHUBTDZZOG-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one
CID 131848123
1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 54373210
5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one
CID 131965960
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
3-butanoyl-1-methylazetidine-2,4-dione
CID 159141567
5-methyl-2-[2-(propylamino)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392886
3-hexyl-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
CID 4978847
(3R,5S)-3-hexyl-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
CID 40517224
(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
CID 142992119

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one?
The IUPAC name of 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one (CID 143541081) is 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one.
What is the SMILES notation for 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one?
The canonical SMILES for 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one is CCCC1CC(C)C(C(=O)CC)C(C)N(C)C1=O.
What is the InChIKey of 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one?
The InChIKey is HJOODHUBTDZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-8-12-9-10(3)14(13(17)7-2)11(4)16(5)15(12)18/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one?
1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one is sourced from PubChem (CID 143541081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).