[(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'}

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

[(2E,5Z)-6-methylocta-2,5-dienyl] N-(3-oxopropyl)carbamate
CID 135300540
[(3Z)-2-methylidenehexa-3,5-dienyl] N-pentylcarbamate
CID 141988224
ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103604
[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-aminoethyl)carbamate
CID 142269804
cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;molecular hydrogen
CID 143811336
cyclohexa-1,5-dien-1-ylmethyl N-propylcarbamate;ethane
CID 143853228
ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(3-amino-3-oxopropyl)carbamate;formic acid
CID 144542863
propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate
CID 144555088
ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane
CID 144729711
ethane;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] N-butylcarbamate
CID 167457881
[(2E,4Z)-2-[(1Z)-buta-1,3-dienyl]hexa-2,4-dienyl] N-(2-acetamidoethyl)carbamate;ethane
CID 170712244
ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium
CID 171831040

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).