[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate

C10H17NO2 — CID 11095270

IUPAC[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate
SMILESC=C/C=C(\C)OC(=O)N(CC)CC
InChIInChI=1S/C10H17NO2/c1-5-8-9(4)13-10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8+
InChIKeyPHCCKUMLTFKRQD-CMDGGOBGSA-N
MW183.25 g/mol
LogP2.55
Rot. Bonds4

About [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate

[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate (PubChem CID 11095270) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate
PubChem CID11095270
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate
SMILESC=C/C=C(\C)OC(=O)N(CC)CC
InChIInChI=1S/C10H17NO2/c1-5-8-9(4)13-10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8+
InChIKeyPHCCKUMLTFKRQD-CMDGGOBGSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-penta-1,3-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436535
[(1E,3Z)-penta-1,3-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436536
lithium phenyl N,N-diethylcarbamate
CID 25258917
tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate
CID 135044027
[(3Z)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727158
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
buta-1,3-dien-2-yl N,N-diethylcarbamate
CID 13699791
1-ethoxybuta-1,3-dien-2-yl N,N-diethylcarbamate
CID 54130471
tert-butyl N-[(Z)-but-2-enyl]-N-ethylcarbamate
CID 58662052
tert-butyl N-but-2-enyl-N-ethylcarbamate
CID 72385680
[(1Z)-1-ethoxybuta-1,3-dien-2-yl] N,N-diethylcarbamate
CID 88499220
prop-1-en-2-yl N,N-bis(prop-2-enyl)carbamate
CID 88710809

Frequently Asked Questions

What is the IUPAC name of [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate?
The IUPAC name of [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate (CID 11095270) is [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate.
What is the SMILES notation for [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate?
The canonical SMILES for [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate is C=C/C=C(\C)OC(=O)N(CC)CC.
What is the InChIKey of [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate?
The InChIKey is PHCCKUMLTFKRQD-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-8-9(4)13-10(12)11(6-2)7-3/h5,8H,1,6-7H2,2-4H3/b9-8+.
What are the key properties of [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate?
[(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-penta-2,4-dien-2-yl] N,N-diethylcarbamate is sourced from PubChem (CID 11095270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).