methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate

C10H15NO2 — CID 154661224

IUPACmethyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
SMILESC=C/C=C(\C=C)CCNC(=O)OC
InChIInChI=1S/C10H15NO2/c1-4-6-9(5-2)7-8-11-10(12)13-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+
InChIKeyZWAWCGSILUNSLG-RMKNXTFCSA-N
MW181.23 g/mol
LogP2.03
Rot. Bonds5

About methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate

methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate (PubChem CID 154661224) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
PubChem CID154661224
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
SMILESC=C/C=C(\C=C)CCNC(=O)OC
InChIInChI=1S/C10H15NO2/c1-4-6-9(5-2)7-8-11-10(12)13-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+
InChIKeyZWAWCGSILUNSLG-RMKNXTFCSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate;ethane
CID 177159912
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
CID 118426558
(E)-N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2-(octanoylamino)but-2-enediamide
CID 162387534
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
tert-butyl N-[[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 145418548
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate?
The IUPAC name of methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate (CID 154661224) is methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate.
What is the SMILES notation for methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate?
The canonical SMILES for methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate is C=C/C=C(\C=C)CCNC(=O)OC.
What is the InChIKey of methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate?
The InChIKey is ZWAWCGSILUNSLG-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-6-9(5-2)7-8-11-10(12)13-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+.
What are the key properties of methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate?
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate has a molecular weight of 181.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate is sourced from PubChem (CID 154661224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).