methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate

C12H14N2O5 — CID 23619616

IUPACmethylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
SMILESC#CCOC(=O)Nc1cccc(O)c1.CNC(=O)O
InChIInChI=1S/C10H9NO3.C2H5NO2/c1-2-6-14-10(13)11-8-4-3-5-9(12)7-8;1-3-2(4)5/h1,3-5,7,12H,6H2,(H,11,13);3H,1H3,(H,4,5)
InChIKeyWOTCTQMNALCSIB-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.46
Rot. Bonds2

About methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate

methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate (PubChem CID 23619616) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
PubChem CID23619616
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Namemethylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
SMILESC#CCOC(=O)Nc1cccc(O)c1.CNC(=O)O
InChIInChI=1S/C10H9NO3.C2H5NO2/c1-2-6-14-10(13)11-8-4-3-5-9(12)7-8;1-3-2(4)5/h1,3-5,7,12H,6H2,(H,11,13);3H,1H3,(H,4,5)
InChIKeyWOTCTQMNALCSIB-UHFFFAOYSA-N
XLogP1.46
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
CID 23619088
prop-2-ynyl N-(3-iodophenyl)carbamate
CID 22016211
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
2-phenoxyethyl N-(3-hydroxyphenyl)carbamate
CID 139715233
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753
[3-(prop-2-ynoxycarbonylamino)phenyl] N-(2-methylpropyl)-N-phenylcarbamate
CID 154236371
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
N-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114
prop-2-ynyl N-(4-prop-1-ynylphenyl)carbamate
CID 123939699
diethyl 2-[1-(3-hydroxyanilino)ethylidene]propanedioate
CID 21235052

Frequently Asked Questions

What is the IUPAC name of methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate?
The IUPAC name of methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate (CID 23619616) is methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate is C#CCOC(=O)Nc1cccc(O)c1.CNC(=O)O.
What is the InChIKey of methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate?
The InChIKey is WOTCTQMNALCSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3.C2H5NO2/c1-2-6-14-10(13)11-8-4-3-5-9(12)7-8;1-3-2(4)5/h1,3-5,7,12H,6H2,(H,11,13);3H,1H3,(H,4,5).
What are the key properties of methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate?
methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate has a molecular weight of 266.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 23619616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).