prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate

C8H11NO2 — CID 89306651

IUPACprop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate
SMILESC=C/C=C/NC(=O)OCC=C
InChIInChI=1S/C8H11NO2/c1-3-5-6-9-8(10)11-7-4-2/h3-6H,1-2,7H2,(H,9,10)/b6-5+
InChIKeyJDRCLULIMGOMQO-AATRIKPKSA-N
MW153.18 g/mol
LogP1.60
Rot. Bonds4

About prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate

prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate (PubChem CID 89306651) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate
PubChem CID89306651
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameprop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate
SMILESC=C/C=C/NC(=O)OCC=C
InChIInChI=1S/C8H11NO2/c1-3-5-6-9-8(10)11-7-4-2/h3-6H,1-2,7H2,(H,9,10)/b6-5+
InChIKeyJDRCLULIMGOMQO-AATRIKPKSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate?
The IUPAC name of prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate (CID 89306651) is prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate is C=C/C=C/NC(=O)OCC=C.
What is the InChIKey of prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate?
The InChIKey is JDRCLULIMGOMQO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-6-9-8(10)11-7-4-2/h3-6H,1-2,7H2,(H,9,10)/b6-5+.
What are the key properties of prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate?
prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate has a molecular weight of 153.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(1E)-buta-1,3-dienyl]carbamate is sourced from PubChem (CID 89306651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).