[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate

C14H25NO2 — CID 142861661

IUPAC[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)N(CC)CCC
InChIInChI=1S/C14H25NO2/c1-5-9-13(10-6-2)12-17-14(16)15(8-4)11-7-3/h5,9-10H,6-8,11-12H2,1-4H3/b9-5-,13-10+
InChIKeyBGDXQGKWSBGTRM-NAQFLYIJSA-N
MW239.36 g/mol
LogP3.77
Rot. Bonds7

About [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate (PubChem CID 142861661) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate.

Molecular Properties

Compound Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
PubChem CID142861661
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)N(CC)CCC
InChIInChI=1S/C14H25NO2/c1-5-9-13(10-6-2)12-17-14(16)15(8-4)11-7-3/h5,9-10H,6-8,11-12H2,1-4H3/b9-5-,13-10+
InChIKeyBGDXQGKWSBGTRM-NAQFLYIJSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-[3-(5,6-dimethyl-2-pyridinyl)butyl]-N-propylcarbamate
CID 143003959
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
(E)-N,N-dipropylbut-2-enamide
CID 21329403
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
benzyl N-ethyl-N-propylcarbamate
CID 126656974
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
CID 144729713
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
CID 79667596
ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
CID 61011838

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate?
The IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate (CID 142861661) is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate.
What is the SMILES notation for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate?
The canonical SMILES for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate is C/C=C\C(=C/CC)COC(=O)N(CC)CCC.
What is the InChIKey of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate?
The InChIKey is BGDXQGKWSBGTRM-NAQFLYIJSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-9-13(10-6-2)12-17-14(16)15(8-4)11-7-3/h5,9-10H,6-8,11-12H2,1-4H3/b9-5-,13-10+.
What are the key properties of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate?
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate has a molecular weight of 239.36 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate is sourced from PubChem (CID 142861661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).