prop-2-enyl N-(2H-pyran-3-yl)carbamate

C9H11NO3 — CID 141030281

IUPACprop-2-enyl N-(2H-pyran-3-yl)carbamate
SMILESC=CCOC(=O)NC1=CC=COC1
InChIInChI=1S/C9H11NO3/c1-2-5-13-9(11)10-8-4-3-6-12-7-8/h2-4,6H,1,5,7H2,(H,10,11)
InChIKeyNBOFHYGSLYUMCG-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.33
Rot. Bonds3

About prop-2-enyl N-(2H-pyran-3-yl)carbamate

prop-2-enyl N-(2H-pyran-3-yl)carbamate (PubChem CID 141030281) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is prop-2-enyl N-(2H-pyran-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2H-pyran-3-yl)carbamate
PubChem CID141030281
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameprop-2-enyl N-(2H-pyran-3-yl)carbamate
SMILESC=CCOC(=O)NC1=CC=COC1
InChIInChI=1S/C9H11NO3/c1-2-5-13-9(11)10-8-4-3-6-12-7-8/h2-4,6H,1,5,7H2,(H,10,11)
InChIKeyNBOFHYGSLYUMCG-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-(5-methylthiophen-2-yl)carbamate
CID 21064928
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
CID 91362137
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
prop-2-enyl N-sulfanylcarbamate
CID 90994311
4-(hydroxymethyl)-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167734701
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
N-phenyl-2H-pyran-3-carboxamide
CID 21499737
prop-2-enyl N-(2-nitrophenyl)carbamate
CID 127503250
2,5-dimethyl-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167742474

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2H-pyran-3-yl)carbamate?
The IUPAC name of prop-2-enyl N-(2H-pyran-3-yl)carbamate (CID 141030281) is prop-2-enyl N-(2H-pyran-3-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2H-pyran-3-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(2H-pyran-3-yl)carbamate is C=CCOC(=O)NC1=CC=COC1.
What is the InChIKey of prop-2-enyl N-(2H-pyran-3-yl)carbamate?
The InChIKey is NBOFHYGSLYUMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-5-13-9(11)10-8-4-3-6-12-7-8/h2-4,6H,1,5,7H2,(H,10,11).
What are the key properties of prop-2-enyl N-(2H-pyran-3-yl)carbamate?
prop-2-enyl N-(2H-pyran-3-yl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2H-pyran-3-yl)carbamate is sourced from PubChem (CID 141030281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).