3-(cyclobutylmethylamino)-3-methyloxolan-2-one

C10H17NO2 — CID 131201283

IUPAC3-(cyclobutylmethylamino)-3-methyloxolan-2-one
SMILESCC1(NCC2CCC2)CCOC1=O
InChIInChI=1S/C10H17NO2/c1-10(5-6-13-9(10)12)11-7-8-3-2-4-8/h8,11H,2-7H2,1H3
InChIKeyGDDONTRHDOFWPO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About 3-(cyclobutylmethylamino)-3-methyloxolan-2-one

3-(cyclobutylmethylamino)-3-methyloxolan-2-one (PubChem CID 131201283) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-3-methyloxolan-2-one.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-3-methyloxolan-2-one
PubChem CID131201283
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(cyclobutylmethylamino)-3-methyloxolan-2-one
SMILESCC1(NCC2CCC2)CCOC1=O
InChIInChI=1S/C10H17NO2/c1-10(5-6-13-9(10)12)11-7-8-3-2-4-8/h8,11H,2-7H2,1H3
InChIKeyGDDONTRHDOFWPO-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 100954884
3-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 171355946
Tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate
CID 138037523
3-[(3,3-Difluorocyclobutyl)methylamino]oxolan-2-one
CID 130719923
(3R)-3-(2-methylpropylamino)oxolan-2-one
CID 28420700
(3S)-3-(2-methylpropylamino)oxolan-2-one
CID 28420702
(3S)-3-(pentylamino)oxolan-2-one
CID 28563677
3-(2-Methylpropylamino)oxolan-2-one
CID 43823903
3-(Pentylamino)oxolan-2-one
CID 43825738
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
Ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389281
N-(2-oxooxolan-3-yl)cyclobutanecarboxamide
CID 126998200

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-3-methyloxolan-2-one?
The IUPAC name of 3-(cyclobutylmethylamino)-3-methyloxolan-2-one (CID 131201283) is 3-(cyclobutylmethylamino)-3-methyloxolan-2-one.
What is the SMILES notation for 3-(cyclobutylmethylamino)-3-methyloxolan-2-one?
The canonical SMILES for 3-(cyclobutylmethylamino)-3-methyloxolan-2-one is CC1(NCC2CCC2)CCOC1=O.
What is the InChIKey of 3-(cyclobutylmethylamino)-3-methyloxolan-2-one?
The InChIKey is GDDONTRHDOFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(5-6-13-9(10)12)11-7-8-3-2-4-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-(cyclobutylmethylamino)-3-methyloxolan-2-one?
3-(cyclobutylmethylamino)-3-methyloxolan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-3-methyloxolan-2-one is sourced from PubChem (CID 131201283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).