1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one

C14H15ClN2O — CID 167628281

IUPAC1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCc1ccc2[nH]cc(Cl)c2c1)[C@@H]1CCN1
InChIInChI=1S/C14H15ClN2O/c15-11-8-17-12-3-1-9(7-10(11)12)2-4-14(18)13-5-6-16-13/h1,3,7-8,13,16-17H,2,4-6H2/t13-/m0/s1
InChIKeyKUANPXQNYRVKQV-ZDUSSCGKSA-N
MW262.74 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one

1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one (PubChem CID 167628281) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one
PubChem CID167628281
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one
SMILESO=C(CCc1ccc2[nH]cc(Cl)c2c1)[C@@H]1CCN1
InChIInChI=1S/C14H15ClN2O/c15-11-8-17-12-3-1-9(7-10(11)12)2-4-14(18)13-5-6-16-13/h1,3,7-8,13,16-17H,2,4-6H2/t13-/m0/s1
InChIKeyKUANPXQNYRVKQV-ZDUSSCGKSA-N
XLogP2.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100
3-chloro-5-(chloromethyl)-1H-indole;ethane
CID 145002050
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
CID 117300860
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
CID 84803651
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
N-[(3-chloro-1H-indol-5-yl)methyl]-1-methylazetidine-2-carboxamide;6-morpholin-4-ylhexanal
CID 156641314

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one (CID 167628281) is 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one is O=C(CCc1ccc2[nH]cc(Cl)c2c1)[C@@H]1CCN1.
What is the InChIKey of 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one?
The InChIKey is KUANPXQNYRVKQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-11-8-17-12-3-1-9(7-10(11)12)2-4-14(18)13-5-6-16-13/h1,3,7-8,13,16-17H,2,4-6H2/t13-/m0/s1.
What are the key properties of 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one?
1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one has a molecular weight of 262.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-azetidin-2-yl]-3-(3-chloro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 167628281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).