2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one

C20H18ClNO — CID 129012333

IUPAC2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one
SMILESCN(C)CCC1=C2c3ccccc3C(=O)C2c2ccc(Cl)cc21
InChIInChI=1S/C20H18ClNO/c1-22(2)10-9-15-17-11-12(21)7-8-14(17)19-18(15)13-5-3-4-6-16(13)20(19)23/h3-8,11,19H,9-10H2,1-2H3
InChIKeyBOBHWLRAFHMERX-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.50
Rot. Bonds3

About 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one

2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one (PubChem CID 129012333) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one.

Molecular Properties

Compound Name2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one
PubChem CID129012333
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one
SMILESCN(C)CCC1=C2c3ccccc3C(=O)C2c2ccc(Cl)cc21
InChIInChI=1S/C20H18ClNO/c1-22(2)10-9-15-17-11-12(21)7-8-14(17)19-18(15)13-5-3-4-6-16(13)20(19)23/h3-8,11,19H,9-10H2,1-2H3
InChIKeyBOBHWLRAFHMERX-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 134133604
10-[(2-N,N-Dimethylamino-2-methyl)ethyl]isoindolo[2,1-a]indol-5-one (32)
CID 129012332
10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indol-5-one (34)
CID 129012334
(4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrrolidin-3-yl)-methanone
CID 1477310
5-Chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride
CID 118714889
2-[[3-acetyl-1-(o-tolylmethyl)-4H-pyridin-4-yl]methyl]-5-chloro-indan-1-one
CID 118557961
(4-chlorophenyl)(1-methyl-4-phenyltetrahydro-1H-pyrrol-3-yl)methanone
CID 4441413
1-(4-Chloro-phenyl)-2-phenyl-3-pyrrolidin-1-yl-propan-1-one
CID 3102100
(E)-3-(4-chlorophenyl)-4'-[3-(dimethylamino)propyl]acrylophenone
CID 19883681
1,2-Bis(4-chlorophenyl)-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 218143
1,2-Bis(4-chlorophenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 218144
2-[[3-acetyl-1-[(3-chlorophenyl)methyl]-4H-pyridin-4-yl]methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 145952548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one?
The IUPAC name of 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one (CID 129012333) is 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one.
What is the SMILES notation for 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one?
The canonical SMILES for 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one is CN(C)CCC1=C2c3ccccc3C(=O)C2c2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one?
The InChIKey is BOBHWLRAFHMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-22(2)10-9-15-17-11-12(21)7-8-14(17)19-18(15)13-5-3-4-6-16(13)20(19)23/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one?
2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one has a molecular weight of 323.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[2-(dimethylamino)ethyl]-4bH-indeno[2,1-a]inden-5-one is sourced from PubChem (CID 129012333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).