ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate

C15H25NO2 — CID 137457943

IUPACethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate
SMILESC=C/C=C/C(C)CCCCN(C=C)C(=O)OCC
InChIInChI=1S/C15H25NO2/c1-5-8-11-14(4)12-9-10-13-16(6-2)15(17)18-7-3/h5-6,8,11,14H,1-2,7,9-10,12-13H2,3-4H3/b11-8+
InChIKeyZZXUVYYOZMPKCZ-DHZHZOJOSA-N
MW251.37 g/mol
LogP4.14
Rot. Bonds9

About ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate

ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate (PubChem CID 137457943) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate.

Molecular Properties

Compound Nameethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate
PubChem CID137457943
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate
SMILESC=C/C=C/C(C)CCCCN(C=C)C(=O)OCC
InChIInChI=1S/C15H25NO2/c1-5-8-11-14(4)12-9-10-13-16(6-2)15(17)18-7-3/h5-6,8,11,14H,1-2,7,9-10,12-13H2,3-4H3/b11-8+
InChIKeyZZXUVYYOZMPKCZ-DHZHZOJOSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4,5,5a,9a-tetrahydro-1-benzazepine-1-carboxylate
CID 69568971
ethyl 3,4,4a,5-tetrahydro-2H-quinoline-1-carboxylate
CID 140970250
ethyl N-(cyclohexa-2,4-dien-1-ylmethyl)-N-methylcarbamate
CID 166852994
ethyl 2-propan-2-yl-2H-pyridine-1-carboxylate
CID 12955683
Ethyl 2-(but-3-en-1-yl)-3-methylpyridine-1(2H)-carboxylate
CID 13448772
ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 121224817

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate?
The IUPAC name of ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate (CID 137457943) is ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate.
What is the SMILES notation for ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate?
The canonical SMILES for ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate is C=C/C=C/C(C)CCCCN(C=C)C(=O)OCC.
What is the InChIKey of ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate?
The InChIKey is ZZXUVYYOZMPKCZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-8-11-14(4)12-9-10-13-16(6-2)15(17)18-7-3/h5-6,8,11,14H,1-2,7,9-10,12-13H2,3-4H3/b11-8+.
What are the key properties of ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate?
ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate has a molecular weight of 251.37 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate is sourced from PubChem (CID 137457943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).