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

C14H27NO2 — CID 142103604

IUPACethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCCC.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3;1-2/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14);1-2H3/b7-4-,11-8+;
InChIKeyICUUAWWNEZNJKK-CUUXJQRSSA-N
MW241.37 g/mol
LogP4.06
Rot. Bonds6

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

ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate (PubChem CID 142103604) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate.

Molecular Properties

Compound Nameethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
PubChem CID142103604
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCCC.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3;1-2/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14);1-2H3/b7-4-,11-8+;
InChIKeyICUUAWWNEZNJKK-CUUXJQRSSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The IUPAC name of ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate (CID 142103604) is ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate.
What is the SMILES notation for ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The canonical SMILES for ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate is C/C=C\C(=C/CC)COC(=O)NCCC.CC.
What is the InChIKey of ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
The InChIKey is ICUUAWWNEZNJKK-CUUXJQRSSA-N. The full InChI is InChI=1S/C12H21NO2.C2H6/c1-4-7-11(8-5-2)10-15-12(14)13-9-6-3;1-2/h4,7-8H,5-6,9-10H2,1-3H3,(H,13,14);1-2H3/b7-4-,11-8+;.
What are the key properties of ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate?
ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate has a molecular weight of 241.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate is sourced from PubChem (CID 142103604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).