1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride

C14H21ClN2O — CID 17211877

IUPAC1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCNCc1ccccc1
InChIInChI=1S/C14H20N2O.ClH/c17-14-8-4-10-16(14)11-5-9-15-12-13-6-2-1-3-7-13;/h1-3,6-7,15H,4-5,8-12H2;1H
InChIKeyYMGAGSHISYQDNM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.21
Rot. Bonds6

About 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride

1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride (PubChem CID 17211877) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
PubChem CID17211877
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCNCc1ccccc1
InChIInChI=1S/C14H20N2O.ClH/c17-14-8-4-10-16(14)11-5-9-15-12-13-6-2-1-3-7-13;/h1-3,6-7,15H,4-5,8-12H2;1H
InChIKeyYMGAGSHISYQDNM-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 69380578
1-[3-[5-(benzylamino)-2,4-dinitroanilino]propyl]pyrrolidin-2-one
CID 11304514

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride (CID 17211877) is 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1CCCNCc1ccccc1.
What is the InChIKey of 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is YMGAGSHISYQDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c17-14-8-4-10-16(14)11-5-9-15-12-13-6-2-1-3-7-13;/h1-3,6-7,15H,4-5,8-12H2;1H.
What are the key properties of 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride?
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 17211877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).