(1-acetylcyclopropyl) azetidine-1-carboxylate

C9H13NO3 — CID 126560673

IUPAC(1-acetylcyclopropyl) azetidine-1-carboxylate
SMILESCC(=O)C1(OC(=O)N2CCC2)CC1
InChIInChI=1S/C9H13NO3/c1-7(11)9(3-4-9)13-8(12)10-5-2-6-10/h2-6H2,1H3
InChIKeyVQVMSGMCSIQLOQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.95
Rot. Bonds2

About (1-acetylcyclopropyl) azetidine-1-carboxylate

(1-acetylcyclopropyl) azetidine-1-carboxylate (PubChem CID 126560673) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (1-acetylcyclopropyl) azetidine-1-carboxylate.

Molecular Properties

Compound Name(1-acetylcyclopropyl) azetidine-1-carboxylate
PubChem CID126560673
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(1-acetylcyclopropyl) azetidine-1-carboxylate
SMILESCC(=O)C1(OC(=O)N2CCC2)CC1
InChIInChI=1S/C9H13NO3/c1-7(11)9(3-4-9)13-8(12)10-5-2-6-10/h2-6H2,1H3
InChIKeyVQVMSGMCSIQLOQ-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate
CID 135298429
(1-carboniodidoyl-4,4-difluorocyclohexyl) azetidine-1-carboxylate
CID 134570697
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
CID 143037581
1-(azetidin-1-yl)ethanone
CID 14061673
ethyl azetidine-1-carboxylate
CID 14088501
(1-methylcycloundecyl) 4,4-dimethylazepane-1-carboxylate
CID 155468911
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 110396649
(4-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]decanyl) piperidine-1-carboxylate
CID 170530264
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
(2-prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530064
1-(1-methoxycycloheptyl)ethanone
CID 83225564

Frequently Asked Questions

What is the IUPAC name of (1-acetylcyclopropyl) azetidine-1-carboxylate?
The IUPAC name of (1-acetylcyclopropyl) azetidine-1-carboxylate (CID 126560673) is (1-acetylcyclopropyl) azetidine-1-carboxylate.
What is the SMILES notation for (1-acetylcyclopropyl) azetidine-1-carboxylate?
The canonical SMILES for (1-acetylcyclopropyl) azetidine-1-carboxylate is CC(=O)C1(OC(=O)N2CCC2)CC1.
What is the InChIKey of (1-acetylcyclopropyl) azetidine-1-carboxylate?
The InChIKey is VQVMSGMCSIQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(11)9(3-4-9)13-8(12)10-5-2-6-10/h2-6H2,1H3.
What are the key properties of (1-acetylcyclopropyl) azetidine-1-carboxylate?
(1-acetylcyclopropyl) azetidine-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylcyclopropyl) azetidine-1-carboxylate is sourced from PubChem (CID 126560673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).