1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C15H21N3O2 — CID 56794641

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C15H21N3O2/c1-18-11-5-8-13(14(18)19)17-15(20)16-10-9-12-6-3-2-4-7-12/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,16,17,20)
InChIKeyXCZPWOIEBHSQOK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 56794641) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID56794641
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C15H21N3O2/c1-18-11-5-8-13(14(18)19)17-15(20)16-10-9-12-6-3-2-4-7-12/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,16,17,20)
InChIKeyXCZPWOIEBHSQOK-UHFFFAOYSA-N
XLogP2.40
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 56794641) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NCCC2=CCCCC2)c1=O.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is XCZPWOIEBHSQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-11-5-8-13(14(18)19)17-15(20)16-10-9-12-6-3-2-4-7-12/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 275.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 56794641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).