1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide

C13H14N2O2 — CID 12708178

IUPAC1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
SMILESCC1(C(N)=O)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H14N2O2/c1-13(12(14)16)11-9(6-7-17-13)8-4-2-3-5-10(8)15-11/h2-5,15H,6-7H2,1H3,(H2,14,16)
InChIKeyPWRWHHGNJIBUPD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide

1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide (PubChem CID 12708178) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
PubChem CID12708178
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
SMILESCC1(C(N)=O)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H14N2O2/c1-13(12(14)16)11-9(6-7-17-13)8-4-2-3-5-10(8)15-11/h2-5,15H,6-7H2,1H3,(H2,14,16)
InChIKeyPWRWHHGNJIBUPD-UHFFFAOYSA-N
XLogP1.44
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
CID 22766912
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid
CID 3044833
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 59639732
[4-acetamido-3-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-4-oxobutyl] acetate
CID 20555624
1-methyl-1-(2-oxo-2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)urea
CID 135114267
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
3-[1-[3-(dimethylamino)-3-oxopropyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid
CID 12507646
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
2-(2-methylphenyl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135101019
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
(2S)-2-(methylamino)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one;hydrochloride
CID 154915929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide?
The IUPAC name of 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide (CID 12708178) is 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide?
The canonical SMILES for 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide is CC1(C(N)=O)OCCc2c1[nH]c1ccccc21.
What is the InChIKey of 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide?
The InChIKey is PWRWHHGNJIBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13(12(14)16)11-9(6-7-17-13)8-4-2-3-5-10(8)15-11/h2-5,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide?
1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 12708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).