[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone

C14H16ClNO — CID 82260509

IUPAC[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2cc(CCCl)ccc21
InChIInChI=1S/C14H16ClNO/c15-7-5-10-1-4-13-12(9-10)6-8-16(13)14(17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyRIAKYASZPNOJBQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.77
Rot. Bonds3

About [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone

[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone (PubChem CID 82260509) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
PubChem CID82260509
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2cc(CCCl)ccc21
InChIInChI=1S/C14H16ClNO/c15-7-5-10-1-4-13-12(9-10)6-8-16(13)14(17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyRIAKYASZPNOJBQ-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
5-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260166
1-[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82260508
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82258607
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
CID 82260079
1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-4-chlorobutan-1-one
CID 82259134
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258730
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The IUPAC name of [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone (CID 82260509) is [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2cc(CCCl)ccc21.
What is the InChIKey of [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The InChIKey is RIAKYASZPNOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-7-5-10-1-4-13-12(9-10)6-8-16(13)14(17)11-2-3-11/h1,4,9,11H,2-3,5-8H2.
What are the key properties of [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone has a molecular weight of 249.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 82260509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).