2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate

C12H15NO3 — CID 79348790

IUPAC2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate
SMILESO=C(NCC1Cc2ccccc21)OCCO
InChIInChI=1S/C12H15NO3/c14-5-6-16-12(15)13-8-10-7-9-3-1-2-4-11(9)10/h1-4,10,14H,5-8H2,(H,13,15)
InChIKeyKRQNFELQCJQTLH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.04
Rot. Bonds4

About 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate

2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate (PubChem CID 79348790) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate
PubChem CID79348790
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate
SMILESO=C(NCC1Cc2ccccc21)OCCO
InChIInChI=1S/C12H15NO3/c14-5-6-16-12(15)13-8-10-7-9-3-1-2-4-11(9)10/h1-4,10,14H,5-8H2,(H,13,15)
InChIKeyKRQNFELQCJQTLH-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methoxy-2-methylpropanamide
CID 113233391
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanediamide
CID 54928768
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 66409556
2-(2-aminophenoxy)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)acetamide
CID 61111655
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828270

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate (CID 79348790) is 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate is O=C(NCC1Cc2ccccc21)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate?
The InChIKey is KRQNFELQCJQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-5-6-16-12(15)13-8-10-7-9-3-1-2-4-11(9)10/h1-4,10,14H,5-8H2,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate?
2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate is sourced from PubChem (CID 79348790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).