1-(cyclohex-3-en-1-ylmethyl)-3-propylurea

C11H20N2O — CID 89090826

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3,(H2,12,13,14)
InChIKeyLFUAKJAKIXLCEH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.05
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea

1-(cyclohex-3-en-1-ylmethyl)-3-propylurea (PubChem CID 89090826) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
PubChem CID89090826
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3,(H2,12,13,14)
InChIKeyLFUAKJAKIXLCEH-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.05
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

3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-N,N-dimethylpropanamide
CID 60591653
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860
4-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76929527
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95150723
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea (CID 89090826) is 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea is CCCNC(=O)NCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea?
The InChIKey is LFUAKJAKIXLCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h3-4,10H,2,5-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea?
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea has a molecular weight of 196.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-propylurea is sourced from PubChem (CID 89090826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).