7-butan-2-yl-4-hydroxyazepan-2-one

C10H19NO2 — CID 153293965

IUPAC7-butan-2-yl-4-hydroxyazepan-2-one
SMILESCCC(C)C1CCC(O)CC(=O)N1
InChIInChI=1S/C10H19NO2/c1-3-7(2)9-5-4-8(12)6-10(13)11-9/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyYKRMQOFSCBXYOT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds2

About 7-butan-2-yl-4-hydroxyazepan-2-one

7-butan-2-yl-4-hydroxyazepan-2-one (PubChem CID 153293965) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 7-butan-2-yl-4-hydroxyazepan-2-one.

Molecular Properties

Compound Name7-butan-2-yl-4-hydroxyazepan-2-one
PubChem CID153293965
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name7-butan-2-yl-4-hydroxyazepan-2-one
SMILESCCC(C)C1CCC(O)CC(=O)N1
InChIInChI=1S/C10H19NO2/c1-3-7(2)9-5-4-8(12)6-10(13)11-9/h7-9,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyYKRMQOFSCBXYOT-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-butan-2-yl-4-hydroxyazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
3-acetyl-5-butan-2-ylpyrrolidin-2-one
CID 141193846
3-butan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106211030
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
4-hydroxypyrrolidin-2-one;propane
CID 169229949
2-(5-oxopyrrolidin-2-yl)butanamide
CID 90190478
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-hydroxyazepan-2-one?
The IUPAC name of 7-butan-2-yl-4-hydroxyazepan-2-one (CID 153293965) is 7-butan-2-yl-4-hydroxyazepan-2-one.
What is the SMILES notation for 7-butan-2-yl-4-hydroxyazepan-2-one?
The canonical SMILES for 7-butan-2-yl-4-hydroxyazepan-2-one is CCC(C)C1CCC(O)CC(=O)N1.
What is the InChIKey of 7-butan-2-yl-4-hydroxyazepan-2-one?
The InChIKey is YKRMQOFSCBXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7(2)9-5-4-8(12)6-10(13)11-9/h7-9,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 7-butan-2-yl-4-hydroxyazepan-2-one?
7-butan-2-yl-4-hydroxyazepan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-4-hydroxyazepan-2-one is sourced from PubChem (CID 153293965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).