1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one

C14H16ClNO — CID 170859460

IUPAC1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=C(Cl)c2ccccc2C1
InChIInChI=1S/C14H16ClNO/c1-16(2)8-7-13(17)12-9-10-5-3-4-6-11(10)14(12)15/h3-6H,7-9H2,1-2H3
InChIKeyZJHUBPABXSMHRR-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one

1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one (PubChem CID 170859460) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one
PubChem CID170859460
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=C(Cl)c2ccccc2C1
InChIInChI=1S/C14H16ClNO/c1-16(2)8-7-13(17)12-9-10-5-3-4-6-11(10)14(12)15/h3-6H,7-9H2,1-2H3
InChIKeyZJHUBPABXSMHRR-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
10H-anthracen-9-one;ethane;methanol
CID 90976205
ethane;9H-fluorene;propanoic acid
CID 90836645
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide
CID 11110049
2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid
CID 143121056
bicyclo[4.2.0]octa-1,3,5-triene-7-thione
CID 54565931
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
9H-fluorene;propanoic acid
CID 67831567
acetic acid;azane;9H-fluorene
CID 174966259
N,N-dimethylbutan-1-amine;9H-fluoren-1-ol
CID 67975331
bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium
CID 159341429

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one (CID 170859460) is 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)C1=C(Cl)c2ccccc2C1.
What is the InChIKey of 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is ZJHUBPABXSMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16(2)8-7-13(17)12-9-10-5-3-4-6-11(10)14(12)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one?
1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 249.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 170859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).