4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one

C8H7N3O2 — CID 70092281

IUPAC4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13)
InChIKeyISMLNWBBCCYUTA-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.26
Rot. Bonds2

About 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one

4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 70092281) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID70092281
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13)
InChIKeyISMLNWBBCCYUTA-UHFFFAOYSA-N
XLogP0.26
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
CID 15567542
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
sodium 1H-pyrrole-2-carboxylate
CID 23665788
gold(1+);1H-pyrrole-2-carboxylate
CID 175933038
chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one
CID 51066312
N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 137488011
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
cyclopenten-1-yl(1H-pyrrol-2-yl)methanone
CID 130528769
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one (CID 70092281) is 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is ISMLNWBBCCYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13).
What are the key properties of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 70092281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).