(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

C10H17NO — CID 130703615

IUPAC(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC1(C)C
InChIInChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-5-4-10(11,2)3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXZGBIQDQDPUCBW-YUMQZZPRSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds1

About (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone

(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 130703615) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID130703615
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC1(C)C
InChIInChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-5-4-10(11,2)3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyXZGBIQDQDPUCBW-YUMQZZPRSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone (CID 130703615) is (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@@H]1C(=O)N1CCC1(C)C.
What is the InChIKey of (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is XZGBIQDQDPUCBW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-5-4-10(11,2)3/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone?
(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 167.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 130703615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).