1-cyclohept-2-en-1-yl-3-methylurea

C9H16N2O — CID 101061254

IUPAC1-cyclohept-2-en-1-yl-3-methylurea
SMILESCNC(=O)NC1C=CCCCC1
InChIInChI=1S/C9H16N2O/c1-10-9(12)11-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3,(H2,10,11,12)
InChIKeyOMVHPAOXXXWMJO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.41
Rot. Bonds1

About 1-cyclohept-2-en-1-yl-3-methylurea

1-cyclohept-2-en-1-yl-3-methylurea (PubChem CID 101061254) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclohept-2-en-1-yl-3-methylurea.

Molecular Properties

Compound Name1-cyclohept-2-en-1-yl-3-methylurea
PubChem CID101061254
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-cyclohept-2-en-1-yl-3-methylurea
SMILESCNC(=O)NC1C=CCCCC1
InChIInChI=1S/C9H16N2O/c1-10-9(12)11-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3,(H2,10,11,12)
InChIKeyOMVHPAOXXXWMJO-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.41
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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohept-2-en-1-yl-3-methylurea?
The IUPAC name of 1-cyclohept-2-en-1-yl-3-methylurea (CID 101061254) is 1-cyclohept-2-en-1-yl-3-methylurea.
What is the SMILES notation for 1-cyclohept-2-en-1-yl-3-methylurea?
The canonical SMILES for 1-cyclohept-2-en-1-yl-3-methylurea is CNC(=O)NC1C=CCCCC1.
What is the InChIKey of 1-cyclohept-2-en-1-yl-3-methylurea?
The InChIKey is OMVHPAOXXXWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-9(12)11-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclohept-2-en-1-yl-3-methylurea?
1-cyclohept-2-en-1-yl-3-methylurea has a molecular weight of 168.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-2-en-1-yl-3-methylurea is sourced from PubChem (CID 101061254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).