(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone

C11H17NO — CID 130654803

IUPAC(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CC(C2CC2)C1
InChIInChI=1S/C11H17NO/c1-7-4-10(7)11(13)12-5-9(6-12)8-2-3-8/h7-10H,2-6H2,1H3/t7-,10-/m1/s1
InChIKeySTPGEMBXCBXZRD-GMSGAONNSA-N
MW179.26 g/mol
LogP1.51
Rot. Bonds2

About (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone

(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 130654803) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID130654803
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CC(C2CC2)C1
InChIInChI=1S/C11H17NO/c1-7-4-10(7)11(13)12-5-9(6-12)8-2-3-8/h7-10H,2-6H2,1H3/t7-,10-/m1/s1
InChIKeySTPGEMBXCBXZRD-GMSGAONNSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131075397
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2-methylcyclopropyl)methanone
CID 67130677
(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130610130
(3aR,6aS)-2-[(1R,2S)-2-methylcyclopropanecarbonyl]-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401743
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone (CID 130654803) is (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone is C[C@@H]1C[C@H]1C(=O)N1CC(C2CC2)C1.
What is the InChIKey of (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is STPGEMBXCBXZRD-GMSGAONNSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-4-10(7)11(13)12-5-9(6-12)8-2-3-8/h7-10H,2-6H2,1H3/t7-,10-/m1/s1.
What are the key properties of (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone?
(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 179.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 130654803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).