N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide

C10H15N3O2 — CID 103881180

IUPACN-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C10H15N3O2/c1-13-5-8(11-7-13)9(15)12-10(6-14)3-2-4-10/h5,7,14H,2-4,6H2,1H3,(H,12,15)
InChIKeyKNGFWRLSGOCFHB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.06
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide (PubChem CID 103881180) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
PubChem CID103881180
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C10H15N3O2/c1-13-5-8(11-7-13)9(15)12-10(6-14)3-2-4-10/h5,7,14H,2-4,6H2,1H3,(H,12,15)
InChIKeyKNGFWRLSGOCFHB-UHFFFAOYSA-N
XLogP0.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-methylimidazole-4-carbonyl)amino]cyclopropyl]acetic acid
CID 167791258
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
1-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
CID 20703287
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[1-(hydroxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 62519593
4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 113344807
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide (CID 103881180) is N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NC2(CO)CCC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide?
The InChIKey is KNGFWRLSGOCFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-8(11-7-13)9(15)12-10(6-14)3-2-4-10/h5,7,14H,2-4,6H2,1H3,(H,12,15).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103881180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).