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

C13H20N2O3 — CID 134297685

IUPAC[(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-5-6-7-11(2)10-18-13(17)14-9-8-12(16)15(3)4/h5-7H,1-2,8-10H2,3-4H3,(H,14,17)/b7-6-
InChIKeyAHTSEUPAEWNGHB-SREVYHEPSA-N
MW252.31 g/mol
LogP1.49
Rot. Bonds7

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

[(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate (PubChem CID 134297685) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate
PubChem CID134297685
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H20N2O3/c1-5-6-7-11(2)10-18-13(17)14-9-8-12(16)15(3)4/h5-7H,1-2,8-10H2,3-4H3,(H,14,17)/b7-6-
InChIKeyAHTSEUPAEWNGHB-SREVYHEPSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
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-[3-(dimethylamino)-3-oxopropyl]carbamate?
The IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate (CID 134297685) is [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate is C=C/C=C\C(=C)COC(=O)NCCC(=O)N(C)C.
What is the InChIKey of [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The InChIKey is AHTSEUPAEWNGHB-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-6-7-11(2)10-18-13(17)14-9-8-12(16)15(3)4/h5-7H,1-2,8-10H2,3-4H3,(H,14,17)/b7-6-.
What are the key properties of [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate?
[(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylidenehexa-3,5-dienyl] N-[3-(dimethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 134297685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).