trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide

C14H16N2O2 — CID 71615677

IUPACtrans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c1-16(18-2)14(17)12-8-11(12)9-3-4-13-10(7-9)5-6-15-13/h3-7,11-12,15H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyYEXITQJEFQWERN-NWDGAFQWSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds3

About trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 71615677) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID71615677
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nametrans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O2/c1-16(18-2)14(17)12-8-11(12)9-3-4-13-10(7-9)5-6-15-13/h3-7,11-12,15H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyYEXITQJEFQWERN-NWDGAFQWSA-N
XLogP2.29
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 90220082
5-(4-methylcyclohexyl)-1H-indole
CID 69051193
[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622283
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901650
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95302224
tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
CID 121004439
methyl (4S)-4-(1H-indol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 39312801
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 71615677) is trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1.
What is the InChIKey of trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is YEXITQJEFQWERN-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(18-2)14(17)12-8-11(12)9-3-4-13-10(7-9)5-6-15-13/h3-7,11-12,15H,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71615677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).