[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone

C15H17Cl2NO2 — CID 129357837

IUPAC[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-13-4-3-11(7-14(13)17)15(19)18-6-5-12(8-18)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2/t12-/m0/s1
InChIKeyXALUUYCMWVTFNQ-LBPRGKRZSA-N
MW314.21 g/mol
LogP3.63
Rot. Bonds4

About [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone

[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 129357837) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID129357837
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC2CC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-13-4-3-11(7-14(13)17)15(19)18-6-5-12(8-18)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2/t12-/m0/s1
InChIKeyXALUUYCMWVTFNQ-LBPRGKRZSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
1,3-benzodioxol-5-yl-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methanone
CID 129357465
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 121197435
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone (CID 129357837) is [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC2CC2)C1.
What is the InChIKey of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is XALUUYCMWVTFNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-13-4-3-11(7-14(13)17)15(19)18-6-5-12(8-18)20-9-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2/t12-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone?
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 314.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 129357837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).