1-hex-5-enyl-3-methylurea

C8H16N2O — CID 171623663

IUPAC1-hex-5-enyl-3-methylurea
SMILESC=CCCCCNC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyPYHICLFXQVENPO-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.27
Rot. Bonds5

About 1-hex-5-enyl-3-methylurea

1-hex-5-enyl-3-methylurea (PubChem CID 171623663) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-hex-5-enyl-3-methylurea.

Molecular Properties

Compound Name1-hex-5-enyl-3-methylurea
PubChem CID171623663
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-hex-5-enyl-3-methylurea
SMILESC=CCCCCNC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-7-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyPYHICLFXQVENPO-UHFFFAOYSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.27
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

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1-methyl-3-nonylurea
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1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
1-butyl-3-methylurea;hydrochloride
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CID 59151849
CID 59151849
1-methyl-3-(7-methyloctyl)urea
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1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10782834
1-but-3-enyl-3-[(1R,2R)-2-(dec-9-enylcarbamoylamino)cyclohexyl]urea
CID 102018358
(E)-N-pent-4-enylbut-2-enamide
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1,3-bis(hex-5-enyl)-1-[hex-5-enyl(methyl)amino]urea
CID 118900904
1-methyl-3-(7-oxononyl)urea
CID 158424786
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enyl-3-methylurea?
The IUPAC name of 1-hex-5-enyl-3-methylurea (CID 171623663) is 1-hex-5-enyl-3-methylurea.
What is the SMILES notation for 1-hex-5-enyl-3-methylurea?
The canonical SMILES for 1-hex-5-enyl-3-methylurea is C=CCCCCNC(=O)NC.
What is the InChIKey of 1-hex-5-enyl-3-methylurea?
The InChIKey is PYHICLFXQVENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-6-7-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11).
What are the key properties of 1-hex-5-enyl-3-methylurea?
1-hex-5-enyl-3-methylurea has a molecular weight of 156.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyl-3-methylurea is sourced from PubChem (CID 171623663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).