(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate

C10H15N3O2 — CID 143001799

IUPAC(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate
SMILESCn1cncc1CNC(=O)OC1(C)CC1
InChIInChI=1S/C10H15N3O2/c1-10(3-4-10)15-9(14)12-6-8-5-11-7-13(8)2/h5,7H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyCFHWXAWZLWKYSV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.20
Rot. Bonds3

About (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate

(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate (PubChem CID 143001799) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate
PubChem CID143001799
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate
SMILESCn1cncc1CNC(=O)OC1(C)CC1
InChIInChI=1S/C10H15N3O2/c1-10(3-4-10)15-9(14)12-6-8-5-11-7-13(8)2/h5,7H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyCFHWXAWZLWKYSV-UHFFFAOYSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate?
The IUPAC name of (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate (CID 143001799) is (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate.
What is the SMILES notation for (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate?
The canonical SMILES for (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate is Cn1cncc1CNC(=O)OC1(C)CC1.
What is the InChIKey of (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate?
The InChIKey is CFHWXAWZLWKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(3-4-10)15-9(14)12-6-8-5-11-7-13(8)2/h5,7H,3-4,6H2,1-2H3,(H,12,14).
What are the key properties of (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate?
(1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) N-[(3-methylimidazol-4-yl)methyl]carbamate is sourced from PubChem (CID 143001799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).