N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C8H13N3O3 — CID 43500412

IUPACN-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-2-5(4-12)10-7(13)6-3-9-8(14)11-6/h3,5,12H,2,4H2,1H3,(H,10,13)(H2,9,11,14)
InChIKeyGVJDGKVRWHPKIT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.80
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 43500412) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID43500412
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-2-5(4-12)10-7(13)6-3-9-8(14)11-6/h3,5,12H,2,4H2,1H3,(H,10,13)(H2,9,11,14)
InChIKeyGVJDGKVRWHPKIT-UHFFFAOYSA-N
XLogP-0.80
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 43500412) is N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCC(CO)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is GVJDGKVRWHPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-5(4-12)10-7(13)6-3-9-8(14)11-6/h3,5,12H,2,4H2,1H3,(H,10,13)(H2,9,11,14).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 43500412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).