azepan-1-yl-(5-methyloxolan-2-yl)methanone

C12H21NO2 — CID 80949461

IUPACazepan-1-yl-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCCC2)O1
InChIInChI=1S/C12H21NO2/c1-10-6-7-11(15-10)12(14)13-8-4-2-3-5-9-13/h10-11H,2-9H2,1H3
InChIKeyHPMFWQWPKLHJBY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.96
Rot. Bonds1

About azepan-1-yl-(5-methyloxolan-2-yl)methanone

azepan-1-yl-(5-methyloxolan-2-yl)methanone (PubChem CID 80949461) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is azepan-1-yl-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-methyloxolan-2-yl)methanone
PubChem CID80949461
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameazepan-1-yl-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCCCC2)O1
InChIInChI=1S/C12H21NO2/c1-10-6-7-11(15-10)12(14)13-8-4-2-3-5-9-13/h10-11H,2-9H2,1H3
InChIKeyHPMFWQWPKLHJBY-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81327717
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81329769
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 81325178

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-methyloxolan-2-yl)methanone?
The IUPAC name of azepan-1-yl-(5-methyloxolan-2-yl)methanone (CID 80949461) is azepan-1-yl-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCCCCC2)O1.
What is the InChIKey of azepan-1-yl-(5-methyloxolan-2-yl)methanone?
The InChIKey is HPMFWQWPKLHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-6-7-11(15-10)12(14)13-8-4-2-3-5-9-13/h10-11H,2-9H2,1H3.
What are the key properties of azepan-1-yl-(5-methyloxolan-2-yl)methanone?
azepan-1-yl-(5-methyloxolan-2-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 80949461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).