(3-aminocyclobutyl)-(1H-indol-3-yl)methanone

C13H14N2O — CID 116917713

IUPAC(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
SMILESNC1CC(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O/c14-9-5-8(6-9)13(16)11-7-15-12-4-2-1-3-10(11)12/h1-4,7-9,15H,5-6,14H2
InChIKeyQSPWJUXEKFDTNO-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.09
Rot. Bonds2

About (3-aminocyclobutyl)-(1H-indol-3-yl)methanone

(3-aminocyclobutyl)-(1H-indol-3-yl)methanone (PubChem CID 116917713) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
PubChem CID116917713
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
SMILESNC1CC(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C13H14N2O/c14-9-5-8(6-9)13(16)11-7-15-12-4-2-1-3-10(11)12/h1-4,7-9,15H,5-6,14H2
InChIKeyQSPWJUXEKFDTNO-UHFFFAOYSA-N
XLogP2.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl(1H-indol-3-yl)methanone
CID 965839
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
CID 110643516
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N,N-diethyl-4-(1H-indole-3-carbonyl)piperidine-1-carboxamide
CID 110643519
(1S,6R)-6-(1H-indole-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 11859762
sodium 1H-indole-3-carboxylate
CID 23698293
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(1H-indol-3-yl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(1H-indol-3-yl)methanone (CID 116917713) is (3-aminocyclobutyl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(1H-indol-3-yl)methanone is NC1CC(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of (3-aminocyclobutyl)-(1H-indol-3-yl)methanone?
The InChIKey is QSPWJUXEKFDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-9-5-8(6-9)13(16)11-7-15-12-4-2-1-3-10(11)12/h1-4,7-9,15H,5-6,14H2.
What are the key properties of (3-aminocyclobutyl)-(1H-indol-3-yl)methanone?
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 116917713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).