(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide

C19H18N2O — CID 121274960

IUPAC(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1c2ccccc2cc2ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C19H18N2O/c22-19(17-10-5-11-20-17)21-18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-4,6-9,12,17,20H,5,10-11H2,(H,21,22)/t17-/m0/s1
InChIKeySPXMJDLWAWZXAF-KRWDZBQOSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds2

About (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide

(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide (PubChem CID 121274960) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide
PubChem CID121274960
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1c2ccccc2cc2ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C19H18N2O/c22-19(17-10-5-11-20-17)21-18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-4,6-9,12,17,20H,5,10-11H2,(H,21,22)/t17-/m0/s1
InChIKeySPXMJDLWAWZXAF-KRWDZBQOSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[1-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]naphthalen-1-yl]naphthalen-2-yl]pyrrolidine-2-carboxamide
CID 132555538
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345

Frequently Asked Questions

What is the IUPAC name of (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide (CID 121274960) is (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide is O=C(Nc1c2ccccc2cc2ccccc12)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide?
The InChIKey is SPXMJDLWAWZXAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(17-10-5-11-20-17)21-18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-4,6-9,12,17,20H,5,10-11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide?
(2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-anthracen-9-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 121274960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).