phenyl carbamate;prop-1-ene

C10H13NO2 — CID 158313196

IUPACphenyl carbamate;prop-1-ene
SMILESC=CC.NC(=O)Oc1ccccc1
InChIInChI=1S/C7H7NO2.C3H6/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H2,8,9);3H,1H2,2H3
InChIKeyGNXUEOGGZMHDPI-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.34
Rot. Bonds1

About phenyl carbamate;prop-1-ene

phenyl carbamate;prop-1-ene (PubChem CID 158313196) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is phenyl carbamate;prop-1-ene.

Molecular Properties

Compound Namephenyl carbamate;prop-1-ene
PubChem CID158313196
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namephenyl carbamate;prop-1-ene
SMILESC=CC.NC(=O)Oc1ccccc1
InChIInChI=1S/C7H7NO2.C3H6/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H2,8,9);3H,1H2,2H3
InChIKeyGNXUEOGGZMHDPI-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl carbamate;prop-1-ene?
The IUPAC name of phenyl carbamate;prop-1-ene (CID 158313196) is phenyl carbamate;prop-1-ene.
What is the SMILES notation for phenyl carbamate;prop-1-ene?
The canonical SMILES for phenyl carbamate;prop-1-ene is C=CC.NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl carbamate;prop-1-ene?
The InChIKey is GNXUEOGGZMHDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H6/c8-7(9)10-6-4-2-1-3-5-6;1-3-2/h1-5H,(H2,8,9);3H,1H2,2H3.
What are the key properties of phenyl carbamate;prop-1-ene?
phenyl carbamate;prop-1-ene has a molecular weight of 179.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl carbamate;prop-1-ene is sourced from PubChem (CID 158313196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).