(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid

C10H11NO3 — CID 141182743

IUPAC(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
SMILESO=C(O)NCC1Cc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(9)5-11-10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14)
InChIKeyUXRLWMAAPYYVSH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.30
Rot. Bonds2

About (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid

(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid (PubChem CID 141182743) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid.

Molecular Properties

Compound Name(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
PubChem CID141182743
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
SMILESO=C(O)NCC1Cc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(9)5-11-10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14)
InChIKeyUXRLWMAAPYYVSH-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
CID 105427853
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
(1S,1aS,6aR)-4-hydroxy-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 68501974
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
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
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 152788699
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxane-4-carboxamide
CID 115294070
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
CID 107184150
(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 99641671
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid?
The IUPAC name of (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid (CID 141182743) is (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid.
What is the SMILES notation for (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid?
The canonical SMILES for (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid is O=C(O)NCC1Cc2cc(O)ccc21.
What is the InChIKey of (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid?
The InChIKey is UXRLWMAAPYYVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(9)5-11-10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14).
What are the key properties of (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid?
(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid has a molecular weight of 193.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid is sourced from PubChem (CID 141182743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).