cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone

C12H21NO2 — CID 176594391

IUPACcyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone
SMILESCC(C)N1CCCOCC1C(=O)C1CC1
InChIInChI=1S/C12H21NO2/c1-9(2)13-6-3-7-15-8-11(13)12(14)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyUCWQMBZZTURDHD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds3

About cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone

cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone (PubChem CID 176594391) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone
PubChem CID176594391
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone
SMILESCC(C)N1CCCOCC1C(=O)C1CC1
InChIInChI=1S/C12H21NO2/c1-9(2)13-6-3-7-15-8-11(13)12(14)10-4-5-10/h9-11H,3-8H2,1-2H3
InChIKeyUCWQMBZZTURDHD-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
1,4-diazabicyclo[2.2.2]octan-2-yl(oxan-3-yl)methanone
CID 107135954
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone?
The IUPAC name of cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone (CID 176594391) is cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone?
The canonical SMILES for cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone is CC(C)N1CCCOCC1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone?
The InChIKey is UCWQMBZZTURDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)13-6-3-7-15-8-11(13)12(14)10-4-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone?
cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone is sourced from PubChem (CID 176594391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).