(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate

C10H11NO3 — CID 57072504

IUPAC(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate
SMILESNC(=O)OCC1Cc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c11-10(13)14-5-7-3-6-1-2-8(12)4-9(6)7/h1-2,4,7,12H,3,5H2,(H2,11,13)
InChIKeyQOZHYHUZGWIEKJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.13
Rot. Bonds2

About (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate

(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate (PubChem CID 57072504) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate.

Molecular Properties

Compound Name(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate
PubChem CID57072504
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate
SMILESNC(=O)OCC1Cc2ccc(O)cc21
InChIInChI=1S/C10H11NO3/c11-10(13)14-5-7-3-6-1-2-8(12)4-9(6)7/h1-2,4,7,12H,3,5H2,(H2,11,13)
InChIKeyQOZHYHUZGWIEKJ-UHFFFAOYSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125980
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
2-(8-hydroxy-1,2-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid
CID 67259148
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
methyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoate
CID 166125875
3-(aminooxymethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-ol
CID 117202373
ethyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoate
CID 166125940
7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide
CID 90355766
tert-butyl 2-carbamimidoyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 175237760
(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
CID 141182743
7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
CID 105427853

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate?
The IUPAC name of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate (CID 57072504) is (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate.
What is the SMILES notation for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate?
The canonical SMILES for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate is NC(=O)OCC1Cc2ccc(O)cc21.
What is the InChIKey of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate?
The InChIKey is QOZHYHUZGWIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-10(13)14-5-7-3-6-1-2-8(12)4-9(6)7/h1-2,4,7,12H,3,5H2,(H2,11,13).
What are the key properties of (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate?
(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate has a molecular weight of 193.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl carbamate is sourced from PubChem (CID 57072504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).