1-cyclopent-3-en-1-yl-3-methylurea

C7H12N2O — CID 115695215

IUPAC1-cyclopent-3-en-1-yl-3-methylurea
SMILESCNC(=O)NC1CC=CC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)9-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3,(H2,8,9,10)
InChIKeyMANNJRXKPLVKJE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.63
Rot. Bonds1

About 1-cyclopent-3-en-1-yl-3-methylurea

1-cyclopent-3-en-1-yl-3-methylurea (PubChem CID 115695215) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-methylurea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-methylurea
PubChem CID115695215
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-cyclopent-3-en-1-yl-3-methylurea
SMILESCNC(=O)NC1CC=CC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)9-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3,(H2,8,9,10)
InChIKeyMANNJRXKPLVKJE-UHFFFAOYSA-N
XLogP0.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-pyrazolidin-4-ylurea
CID 70272773
N-cyclopent-3-en-1-yl-3-(methylamino)cyclobutane-1-carboxamide
CID 164651418
1-methyl-3-piperidin-4-ylurea
CID 18759970
(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
2-chloro-N-cyclopent-3-en-1-ylpropanamide
CID 115879969
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
N-methylcyclopent-3-en-1-amine
CID 21306607
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556
N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
CID 130669858
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-methylurea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-methylurea (CID 115695215) is 1-cyclopent-3-en-1-yl-3-methylurea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-methylurea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-methylurea is CNC(=O)NC1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-methylurea?
The InChIKey is MANNJRXKPLVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-7(10)9-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3,(H2,8,9,10).
What are the key properties of 1-cyclopent-3-en-1-yl-3-methylurea?
1-cyclopent-3-en-1-yl-3-methylurea has a molecular weight of 140.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-methylurea is sourced from PubChem (CID 115695215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).