1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one

C16H21N3O — CID 17221800

IUPAC1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O/c20-16-3-1-9-19(16)10-2-7-17-12-13-4-5-15-14(11-13)6-8-18-15/h4-6,8,11,17-18H,1-3,7,9-10,12H2
InChIKeyHVFVNLORWLHVDV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.27
Rot. Bonds6

About 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one

1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 17221800) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID17221800
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H21N3O/c20-16-3-1-9-19(16)10-2-7-17-12-13-4-5-15-14(11-13)6-8-18-15/h4-6,8,11,17-18H,1-3,7,9-10,12H2
InChIKeyHVFVNLORWLHVDV-UHFFFAOYSA-N
XLogP2.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
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
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212137
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[3-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212068

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one (CID 17221800) is 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is HVFVNLORWLHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-3-1-9-19(16)10-2-7-17-12-13-4-5-15-14(11-13)6-8-18-15/h4-6,8,11,17-18H,1-3,7,9-10,12H2.
What are the key properties of 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one?
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 17221800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).