methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate

C10H13N3O3 — CID 143339671

IUPACmethyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(C(C)=O)CC1c1cnc[nH]1
InChIInChI=1S/C10H13N3O3/c1-6(14)10(13-9(15)16-2)3-7(10)8-4-11-5-12-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyLLHJMFZAPXZICB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.58
Rot. Bonds3

About methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate

methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate (PubChem CID 143339671) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
PubChem CID143339671
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
SMILESCOC(=O)NC1(C(C)=O)CC1c1cnc[nH]1
InChIInChI=1S/C10H13N3O3/c1-6(14)10(13-9(15)16-2)3-7(10)8-4-11-5-12-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyLLHJMFZAPXZICB-UHFFFAOYSA-N
XLogP0.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The IUPAC name of methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate (CID 143339671) is methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate.
What is the SMILES notation for methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The canonical SMILES for methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate is COC(=O)NC1(C(C)=O)CC1c1cnc[nH]1.
What is the InChIKey of methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The InChIKey is LLHJMFZAPXZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(14)10(13-9(15)16-2)3-7(10)8-4-11-5-12-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,15).
What are the key properties of methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate has a molecular weight of 223.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-acetyl-2-(1H-imidazol-5-yl)cyclopropyl]carbamate is sourced from PubChem (CID 143339671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).