4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol

C9H17NO2 — CID 177033565

IUPAC4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol
SMILESCC1(O)COCCN(C2CC2)C1
InChIInChI=1S/C9H17NO2/c1-9(11)6-10(8-2-3-8)4-5-12-7-9/h8,11H,2-7H2,1H3
InChIKeyUYNXVLJYPSYHEJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds1

About 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol

4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol (PubChem CID 177033565) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol
PubChem CID177033565
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol
SMILESCC1(O)COCCN(C2CC2)C1
InChIInChI=1S/C9H17NO2/c1-9(11)6-10(8-2-3-8)4-5-12-7-9/h8,11H,2-7H2,1H3
InChIKeyUYNXVLJYPSYHEJ-UHFFFAOYSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol 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

4-cyclopropylmorpholine;ethane
CID 155594914
1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332
N,2-dimethyl-4-(oxan-4-yl)morpholine-2-carboxamide
CID 110268322
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)morpholine
CID 24995982
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one
CID 114762064

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol?
The IUPAC name of 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol (CID 177033565) is 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol?
The canonical SMILES for 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol is CC1(O)COCCN(C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol?
The InChIKey is UYNXVLJYPSYHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(11)6-10(8-2-3-8)4-5-12-7-9/h8,11H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol?
4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-1,4-oxazepan-6-ol is sourced from PubChem (CID 177033565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).