methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate

C10H15NO2 — CID 167203528

IUPACmethyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate
SMILESC=C/C(C)=C\C=C/N(C)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-5-9(2)7-6-8-11(3)10(12)13-4/h5-8H,1H2,2-4H3/b8-6-,9-7-
InChIKeyYQSGNHTWNVAUKY-VRHVFUOLSA-N
MW181.23 g/mol
LogP2.33
Rot. Bonds3

About methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate

methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate (PubChem CID 167203528) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate
PubChem CID167203528
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate
SMILESC=C/C(C)=C\C=C/N(C)C(=O)OC
InChIInChI=1S/C10H15NO2/c1-5-9(2)7-6-8-11(3)10(12)13-4/h5-8H,1H2,2-4H3/b8-6-,9-7-
InChIKeyYQSGNHTWNVAUKY-VRHVFUOLSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate (CID 167203528) is methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate is C=C/C(C)=C\C=C/N(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate?
The InChIKey is YQSGNHTWNVAUKY-VRHVFUOLSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-9(2)7-6-8-11(3)10(12)13-4/h5-8H,1H2,2-4H3/b8-6-,9-7-.
What are the key properties of methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate?
methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate has a molecular weight of 181.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(1Z,3Z)-4-methylhexa-1,3,5-trienyl]carbamate is sourced from PubChem (CID 167203528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).