1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea

C18H28N4O2 — CID 71924001

IUPAC1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
SMILESCC(CCc1cccn1C)NC(=O)NC1CC(=O)N(C2CC2C)C1
InChIInChI=1S/C18H28N4O2/c1-12-9-16(12)22-11-14(10-17(22)23)20-18(24)19-13(2)6-7-15-5-4-8-21(15)3/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyVIPNMVMSNOQPDP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.65
Rot. Bonds6

About 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea

1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea (PubChem CID 71924001) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
PubChem CID71924001
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
SMILESCC(CCc1cccn1C)NC(=O)NC1CC(=O)N(C2CC2C)C1
InChIInChI=1S/C18H28N4O2/c1-12-9-16(12)22-11-14(10-17(22)23)20-18(24)19-13(2)6-7-15-5-4-8-21(15)3/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyVIPNMVMSNOQPDP-UHFFFAOYSA-N
XLogP1.65
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 124859901
cis-(1S,2R)-2-[[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132467
1-(2-hydroxyethyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111474130
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
1-(4-hydroxy-2-methylpentyl)-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 111508300
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 100862018
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
CID 125152934
N-(1-cyclopropylethyl)-4-(1-methylpyrrol-2-yl)butan-2-amine
CID 115677371
(2R)-2-(hydroxymethyl)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505467
(2R)-2-(hydroxymethyl)-N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 124505468
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 7552478

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea?
The IUPAC name of 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea (CID 71924001) is 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea is CC(CCc1cccn1C)NC(=O)NC1CC(=O)N(C2CC2C)C1.
What is the InChIKey of 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea?
The InChIKey is VIPNMVMSNOQPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12-9-16(12)22-11-14(10-17(22)23)20-18(24)19-13(2)6-7-15-5-4-8-21(15)3/h4-5,8,12-14,16H,6-7,9-11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea?
1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea has a molecular weight of 332.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea is sourced from PubChem (CID 71924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).