1-butyl-3-hept-6-enylurea

C12H24N2O — CID 23466743

IUPAC1-butyl-3-hept-6-enylurea
SMILESC=CCCCCCNC(=O)NCCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-8-9-11-14-12(15)13-10-6-4-2/h3H,1,4-11H2,2H3,(H2,13,14,15)
InChIKeyFEZZSHRMBFLQFR-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.83
Rot. Bonds9

About 1-butyl-3-hept-6-enylurea

1-butyl-3-hept-6-enylurea (PubChem CID 23466743) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-3-hept-6-enylurea.

Molecular Properties

Compound Name1-butyl-3-hept-6-enylurea
PubChem CID23466743
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-3-hept-6-enylurea
SMILESC=CCCCCCNC(=O)NCCCC
InChIInChI=1S/C12H24N2O/c1-3-5-7-8-9-11-14-12(15)13-10-6-4-2/h3H,1,4-11H2,2H3,(H2,13,14,15)
InChIKeyFEZZSHRMBFLQFR-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-3-propyl-urea
CID 10067119
1-(2-Fluoro-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10316739
1-Isopropyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10689907
1-Ethyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10712631
1-Methyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10782834
1-Isobutyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10833278
[(E)-hexadec-7-enyl]urea
CID 44322046
1-Pentyl-3-prop-2-enylurea
CID 10773488
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
Octadeca-9,12,15-trienylurea
CID 54093804
N-(4-Pentenyl)-urea
CID 55289982
n-5-Hexenyl urea
CID 55291393

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hept-6-enylurea?
The IUPAC name of 1-butyl-3-hept-6-enylurea (CID 23466743) is 1-butyl-3-hept-6-enylurea.
What is the SMILES notation for 1-butyl-3-hept-6-enylurea?
The canonical SMILES for 1-butyl-3-hept-6-enylurea is C=CCCCCCNC(=O)NCCCC.
What is the InChIKey of 1-butyl-3-hept-6-enylurea?
The InChIKey is FEZZSHRMBFLQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-7-8-9-11-14-12(15)13-10-6-4-2/h3H,1,4-11H2,2H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-hept-6-enylurea?
1-butyl-3-hept-6-enylurea has a molecular weight of 212.34 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hept-6-enylurea is sourced from PubChem (CID 23466743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).