1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one

C14H17Cl2NO — CID 11231488

IUPAC1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17Cl2NO/c1-2-13(17-7-3-4-8-17)14(18)10-5-6-11(15)12(16)9-10/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyDZULEPZTNHLZTO-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.05
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one

1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 11231488) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID11231488
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17Cl2NO/c1-2-13(17-7-3-4-8-17)14(18)10-5-6-11(15)12(16)9-10/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyDZULEPZTNHLZTO-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bupropion
CID 444
Bupropion Hydrochloride
CID 62884
3-Chloromethcathinone hydrochloride
CID 90645589
(R)-Bupropion
CID 688387
3-Cec
CID 90645581
2-(Tert-butylamino)-1-(3-chlorophenyl)butan-1-one
CID 3027752
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)butan-1-one
CID 44542809
2-(Tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one
CID 44543273
1-(3-Chlorophenyl)-2-(dimethylamino)propan-1-one
CID 43794735
4-Chloro-alpha-PVP
CID 69245309
(S)-Bupropion
CID 667684
2-(tert-Butylamino)-4'-chloropropiophenone
CID 3031066

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one (CID 11231488) is 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one is CCC(C(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is DZULEPZTNHLZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-13(17-7-3-4-8-17)14(18)10-5-6-11(15)12(16)9-10/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 286.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 11231488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).