(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone

C16H22N2O — CID 114455722

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)N2CCc3cccc(N)c32)CCCC1
InChIInChI=1S/C16H22N2O/c1-2-16(9-3-4-10-16)15(19)18-11-8-12-6-5-7-13(17)14(12)18/h5-7H,2-4,8-11,17H2,1H3
InChIKeyVINCKYPMKDFKDC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds2

About (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone (PubChem CID 114455722) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
PubChem CID114455722
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)N2CCc3cccc(N)c32)CCCC1
InChIInChI=1S/C16H22N2O/c1-2-16(9-3-4-10-16)15(19)18-11-8-12-6-5-7-13(17)14(12)18/h5-7H,2-4,8-11,17H2,1H3
InChIKeyVINCKYPMKDFKDC-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone (CID 114455722) is (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone is CCC1(C(=O)N2CCc3cccc(N)c32)CCCC1.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone?
The InChIKey is VINCKYPMKDFKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-16(9-3-4-10-16)15(19)18-11-8-12-6-5-7-13(17)14(12)18/h5-7H,2-4,8-11,17H2,1H3.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 114455722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).