2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid

C11H13N3O3 — CID 116979766

IUPAC2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CC(c2ccc[nH]2)NC1=O
InChIInChI=1S/C11H13N3O3/c15-10(16)6-4-9(6)14-5-8(13-11(14)17)7-2-1-3-12-7/h1-3,6,8-9,12H,4-5H2,(H,13,17)(H,15,16)
InChIKeyBNGFVLPBVKXSAM-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.55
Rot. Bonds3

About 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid

2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid (PubChem CID 116979766) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
PubChem CID116979766
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CC(c2ccc[nH]2)NC1=O
InChIInChI=1S/C11H13N3O3/c15-10(16)6-4-9(6)14-5-8(13-11(14)17)7-2-1-3-12-7/h1-3,6,8-9,12H,4-5H2,(H,13,17)(H,15,16)
InChIKeyBNGFVLPBVKXSAM-UHFFFAOYSA-N
XLogP0.55
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid
CID 116979765
1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979012
2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
CID 116979754
1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979248
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
2-(1-phenylazetidin-2-yl)-1H-pyrrole
CID 174746574
1-methyl-5-(1H-pyrrol-2-yl)piperazin-2-one
CID 83696038
3-(1H-pyrrol-2-yl)pyrazolidine
CID 156589461
2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982087
2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364121
2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982182
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid (CID 116979766) is 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CC(c2ccc[nH]2)NC1=O.
What is the InChIKey of 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The InChIKey is BNGFVLPBVKXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(16)6-4-9(6)14-5-8(13-11(14)17)7-2-1-3-12-7/h1-3,6,8-9,12H,4-5H2,(H,13,17)(H,15,16).
What are the key properties of 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid?
2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116979766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).