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

C12H21NO2 — CID 142103605

IUPAC[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCCC
InChIInChI=1S/C12H21NO2/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14)/b7-4-,11-8+
InChIKeyFJIGVHVAUGKEJT-AFDHTILLSA-N
MW211.30 g/mol
LogP3.04
Rot. Bonds6

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

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate (PubChem CID 142103605) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate.

Molecular Properties

Compound Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
PubChem CID142103605
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCCC
InChIInChI=1S/C12H21NO2/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14)/b7-4-,11-8+
InChIKeyFJIGVHVAUGKEJT-AFDHTILLSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-(2-amino-2-oxoethyl)carbamate;toluene
CID 144729713
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
CID 142861661
ethyl N-propylcarbamate
CID 12199
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
2-hydroxyethyl N-propylcarbamate
CID 15560805
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
octadecyl N-propylcarbamate
CID 175015942
silyl N-propylcarbamate
CID 174599243
(E)-1-(propylamino)pent-3-en-2-one
CID 130176431
3-(propylamino)propyl N-propylcarbamate
CID 166733433

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate (CID 142103605) is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate.
What is the SMILES notation for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The canonical SMILES for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate is C/C=C\C(=C/CC)COC(=O)NCCC.
What is the InChIKey of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The InChIKey is FJIGVHVAUGKEJT-AFDHTILLSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14)/b7-4-,11-8+.
What are the key properties of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 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-propylcarbamate is sourced from PubChem (CID 142103605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).