(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone

C10H17NO — CID 130626381

IUPAC(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCC1CC(C)N1C(=O)C1(C)CC1
InChIInChI=1S/C10H17NO/c1-7-6-8(2)11(7)9(12)10(3)4-5-10/h7-8H,4-6H2,1-3H3
InChIKeyGZMLEHWQMTWCRW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds1

About (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone

(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone (PubChem CID 130626381) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone
PubChem CID130626381
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCC1CC(C)N1C(=O)C1(C)CC1
InChIInChI=1S/C10H17NO/c1-7-6-8(2)11(7)9(12)10(3)4-5-10/h7-8H,4-6H2,1-3H3
InChIKeyGZMLEHWQMTWCRW-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(1-methylcyclopentyl)methanone
CID 78993922
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828022
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
(4-hydroxy-1,2-oxazolidin-2-yl)-(1-methylcyclopropyl)methanone
CID 130553362
(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone
CID 130909233
(2S,3S,5R)-3-hydroxy-2,3,5-trimethylpyrrolidine-1-carboxylic acid
CID 68577410
1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292363
[4-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)cyclohexyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420589

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone (CID 130626381) is (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone is CC1CC(C)N1C(=O)C1(C)CC1.
What is the InChIKey of (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is GZMLEHWQMTWCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-8(2)11(7)9(12)10(3)4-5-10/h7-8H,4-6H2,1-3H3.
What are the key properties of (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone?
(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 167.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130626381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).