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

C18H23ClN2O — CID 17211895

IUPAC1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCNCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O.ClH/c21-18-10-4-12-20(18)13-5-11-19-14-16-8-3-7-15-6-1-2-9-17(15)16;/h1-3,6-9,19H,4-5,10-14H2;1H
InChIKeyAMPFYUOCNJJCEJ-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.36
Rot. Bonds6

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

1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride (PubChem CID 17211895) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
PubChem CID17211895
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1CCCNCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O.ClH/c21-18-10-4-12-20(18)13-5-11-19-14-16-8-3-7-15-6-1-2-9-17(15)16;/h1-3,6-9,19H,4-5,10-14H2;1H
InChIKeyAMPFYUOCNJJCEJ-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.36
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-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
1-[3-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211958
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 69380578
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211934
8-chloro-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]-1H-quinolin-4-one
CID 72915360
1-[3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212265

Frequently Asked Questions

What is the IUPAC name of 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride (CID 17211895) is 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1CCCNCc1cccc2ccccc12.
What is the InChIKey of 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is AMPFYUOCNJJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c21-18-10-4-12-20(18)13-5-11-19-14-16-8-3-7-15-6-1-2-9-17(15)16;/h1-3,6-9,19H,4-5,10-14H2;1H.
What are the key properties of 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride?
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 17211895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).