[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone

C14H17ClN2O — CID 124699729

IUPAC[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(Cl)cc32)C1
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-9-5-6-17(13(9)8-11)14(18)10-2-4-12(16)7-10/h1,3,8,10,12H,2,4-7,16H2/t10-,12-/m1/s1
InChIKeyWWPMXDYPHGVPGG-ZYHUDNBSSA-N
MW264.76 g/mol
LogP2.36
Rot. Bonds1

About [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone

[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone (PubChem CID 124699729) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
PubChem CID124699729
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(Cl)cc32)C1
InChIInChI=1S/C14H17ClN2O/c15-11-3-1-9-5-6-17(13(9)8-11)14(18)10-2-4-12(16)7-10/h1,3,8,10,12H,2,4-7,16H2/t10-,12-/m1/s1
InChIKeyWWPMXDYPHGVPGG-ZYHUDNBSSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
CID 22591393
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone (CID 124699729) is [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone is N[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(Cl)cc32)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WWPMXDYPHGVPGG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-3-1-9-5-6-17(13(9)8-11)14(18)10-2-4-12(16)7-10/h1,3,8,10,12H,2,4-7,16H2/t10-,12-/m1/s1.
What are the key properties of [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone?
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 264.76 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 124699729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).