(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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Related Compounds

2-chloro-N-[(3-methylimidazol-4-yl)methylcarbamoyl]acetamide
CID 130756450
[1-[(3-methylimidazol-4-yl)methylamino]cyclopropyl]methanol
CID 115763109
2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 154797084
N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166213773
2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
CID 112672694
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
1-cyclopropyl-3-[(3-methylimidazol-4-yl)methyl]thiourea
CID 130847098
1-[(3-methylimidazol-4-yl)methyl]-3-[2-(1-methylpiperidin-3-yl)ethyl]urea
CID 139021653
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 139004590
2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629012

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).