1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride

C13H19Cl2NO — CID 142636287

IUPAC1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CCCc1ccccc1
InChIInChI=1S/C13H17NO.2ClH/c15-13-9-5-11-14(13)10-4-8-12-6-2-1-3-7-12;;/h1-3,6-7H,4-5,8-11H2;2*1H
InChIKeyZIGDTHMBFYNPAP-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride

1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 142636287) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
PubChem CID142636287
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CCCc1ccccc1
InChIInChI=1S/C13H17NO.2ClH/c15-13-9-5-11-14(13)10-4-8-12-6-2-1-3-7-12;;/h1-3,6-7H,4-5,8-11H2;2*1H
InChIKeyZIGDTHMBFYNPAP-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(3-phenylpropyl)guanidine
CID 111146773
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
1-(3-anilinooxypropyl)pyrrolidin-2-one
CID 87356449
1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025428
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
N-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 71768736
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride (CID 142636287) is 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is ZIGDTHMBFYNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2ClH/c15-13-9-5-11-14(13)10-4-8-12-6-2-1-3-7-12;;/h1-3,6-7H,4-5,8-11H2;2*1H.
What are the key properties of 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride?
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 142636287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).