[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate

C10H16N2O2 — CID 142269804

IUPAC[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCCN
InChIInChI=1S/C10H16N2O2/c1-3-4-5-9(2)8-14-10(13)12-7-6-11/h3-5H,1-2,6-8,11H2,(H,12,13)/b5-4-
InChIKeyKPMNFQHIGZPMRO-PLNGDYQASA-N
MW196.25 g/mol
LogP0.97
Rot. Bonds6

About [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate

[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate (PubChem CID 142269804) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate
PubChem CID142269804
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCCN
InChIInChI=1S/C10H16N2O2/c1-3-4-5-9(2)8-14-10(13)12-7-6-11/h3-5H,1-2,6-8,11H2,(H,12,13)/b5-4-
InChIKeyKPMNFQHIGZPMRO-PLNGDYQASA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate?
The IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate (CID 142269804) is [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate.
What is the SMILES notation for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate?
The canonical SMILES for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate is C=C/C=C\C(=C)COC(=O)NCCN.
What is the InChIKey of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate?
The InChIKey is KPMNFQHIGZPMRO-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-9(2)8-14-10(13)12-7-6-11/h3-5H,1-2,6-8,11H2,(H,12,13)/b5-4-.
What are the key properties of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate?
[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate has a molecular weight of 196.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate is sourced from PubChem (CID 142269804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).