(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone

C14H18N2O2 — CID 113280547

IUPAC(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNC1(C(=O)N2CCc3ccccc32)CCOCC1
InChIInChI=1S/C14H18N2O2/c15-14(6-9-18-10-7-14)13(17)16-8-5-11-3-1-2-4-12(11)16/h1-4H,5-10,15H2
InChIKeyNWCBXKOEQXLJOC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.08
Rot. Bonds1

About (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone

(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 113280547) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID113280547
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNC1(C(=O)N2CCc3ccccc32)CCOCC1
InChIInChI=1S/C14H18N2O2/c15-14(6-9-18-10-7-14)13(17)16-8-5-11-3-1-2-4-12(11)16/h1-4H,5-10,15H2
InChIKeyNWCBXKOEQXLJOC-UHFFFAOYSA-N
XLogP1.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115293471
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
2,3-dihydroindol-1-yl(morpholin-3-yl)methanone;hydrochloride
CID 119673083
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(3-aminooxolan-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 64892898
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone (CID 113280547) is (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone is NC1(C(=O)N2CCc3ccccc32)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is NWCBXKOEQXLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-14(6-9-18-10-7-14)13(17)16-8-5-11-3-1-2-4-12(11)16/h1-4H,5-10,15H2.
What are the key properties of (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone?
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 113280547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).