1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea

C12H22N2O — CID 23548560

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H2,13,14,15)
InChIKeyWBOHQCDRZCEMLF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea

1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea (PubChem CID 23548560) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea
PubChem CID23548560
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H2,13,14,15)
InChIKeyWBOHQCDRZCEMLF-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-propan-2-ylurea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea (CID 23548560) is 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is WBOHQCDRZCEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)14-12(15)13-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea?
1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 210.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 23548560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).