2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone

C16H20Cl2N2O — CID 60963537

IUPAC2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O/c17-13-6-5-12(8-14(13)18)15-2-1-7-20(15)16(21)10-19-9-11-3-4-11/h5-6,8,11,15,19H,1-4,7,9-10H2
InChIKeyWMCQAPSDSCLGAH-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.66
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 60963537) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID60963537
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O/c17-13-6-5-12(8-14(13)18)15-2-1-7-20(15)16(21)10-19-9-11-3-4-11/h5-6,8,11,15,19H,1-4,7,9-10H2
InChIKeyWMCQAPSDSCLGAH-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721721
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
1-[2-(4-chlorophenyl)azepan-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 119792739
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 60947846
N-[2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 55924693
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
3-cyclopentylsulfonyl-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 71889361
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone (CID 60963537) is 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone is O=C(CNCC1CC1)N1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WMCQAPSDSCLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-6-5-12(8-14(13)18)15-2-1-7-20(15)16(21)10-19-9-11-3-4-11/h5-6,8,11,15,19H,1-4,7,9-10H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 327.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 60963537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).