acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol

C17H23NO6 — CID 22766912

IUPACacetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
SMILESCC(=O)O.CC(=O)O.CC1(CO)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H15NO2.2C2H4O2/c1-13(8-15)12-10(6-7-16-13)9-4-2-3-5-11(9)14-12;2*1-2(3)4/h2-5,14-15H,6-8H2,1H3;2*1H3,(H,3,4)
InChIKeyYVNTYBCQKWEOTB-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.13
Rot. Bonds1

About acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol

acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol (PubChem CID 22766912) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol.

Molecular Properties

Compound Nameacetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
PubChem CID22766912
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Nameacetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
SMILESCC(=O)O.CC(=O)O.CC1(CO)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H15NO2.2C2H4O2/c1-13(8-15)12-10(6-7-16-13)9-4-2-3-5-11(9)14-12;2*1-2(3)4/h2-5,14-15H,6-8H2,1H3;2*1H3,(H,3,4)
InChIKeyYVNTYBCQKWEOTB-UHFFFAOYSA-N
XLogP2.13
TPSA119.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol 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,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid
CID 3044833
1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
CID 12708178
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 59639732
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 10691264
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 10527930
3-[1-[3-(dimethylamino)-3-oxopropyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid
CID 12507646
2-(2-methoxyphenoxy)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135112568
3-methyl-5-oxo-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpentanoic acid
CID 126473402
[4-acetamido-3-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-4-oxobutyl] acetate
CID 20555624
1-(1-ethyl-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone
CID 73294070
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095

Frequently Asked Questions

What is the IUPAC name of acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol?
The IUPAC name of acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol (CID 22766912) is acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol.
What is the SMILES notation for acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol?
The canonical SMILES for acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol is CC(=O)O.CC(=O)O.CC1(CO)OCCc2c1[nH]c1ccccc21.
What is the InChIKey of acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol?
The InChIKey is YVNTYBCQKWEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.2C2H4O2/c1-13(8-15)12-10(6-7-16-13)9-4-2-3-5-11(9)14-12;2*1-2(3)4/h2-5,14-15H,6-8H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol?
acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol has a molecular weight of 337.37 g/mol, XLogP of 2.13, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol is sourced from PubChem (CID 22766912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).