phenyl N-methyl-N-prop-2-ynylcarbamate

C11H11NO2 — CID 21388381

IUPACphenyl N-methyl-N-prop-2-ynylcarbamate
SMILESC#CCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H11NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3
InChIKeyYGBDENQFFQCKCX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.75
Rot. Bonds2

About phenyl N-methyl-N-prop-2-ynylcarbamate

phenyl N-methyl-N-prop-2-ynylcarbamate (PubChem CID 21388381) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is phenyl N-methyl-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-prop-2-ynylcarbamate
PubChem CID21388381
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namephenyl N-methyl-N-prop-2-ynylcarbamate
SMILESC#CCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H11NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3
InChIKeyYGBDENQFFQCKCX-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-butyl-N-methylcarbamate
CID 564973
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-prop-2-ynylcarbamate?
The IUPAC name of phenyl N-methyl-N-prop-2-ynylcarbamate (CID 21388381) is phenyl N-methyl-N-prop-2-ynylcarbamate.
What is the SMILES notation for phenyl N-methyl-N-prop-2-ynylcarbamate?
The canonical SMILES for phenyl N-methyl-N-prop-2-ynylcarbamate is C#CCN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-prop-2-ynylcarbamate?
The InChIKey is YGBDENQFFQCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3.
What are the key properties of phenyl N-methyl-N-prop-2-ynylcarbamate?
phenyl N-methyl-N-prop-2-ynylcarbamate has a molecular weight of 189.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-prop-2-ynylcarbamate is sourced from PubChem (CID 21388381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).