1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone

C14H16N2O — CID 116921378

IUPAC1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H16N2O/c1-15-9-14(6-7-14)13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,8,15-16H,6-7,9H2,1H3
InChIKeyRULTXFHKDOXIJZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds4

About 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone

1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone (PubChem CID 116921378) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
PubChem CID116921378
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H16N2O/c1-15-9-14(6-7-14)13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,8,15-16H,6-7,9H2,1H3
InChIKeyRULTXFHKDOXIJZ-UHFFFAOYSA-N
XLogP2.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
CID 44626731
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
CID 116922272
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-indol-3-amine
CID 115244510
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-3-carboxamide
CID 115878291
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide
CID 62520393

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone?
The IUPAC name of 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone (CID 116921378) is 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone?
The canonical SMILES for 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone is CNCC1(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone?
The InChIKey is RULTXFHKDOXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-9-14(6-7-14)13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,8,15-16H,6-7,9H2,1H3.
What are the key properties of 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone?
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone has a molecular weight of 228.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).