(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide

C15H18N2O2 — CID 143912781

IUPAC(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H18N2O2/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19)/t13?,14-/m0/s1
InChIKeySHUHPYVSXYBIQB-KZUDCZAMSA-N
MW258.32 g/mol
LogP1.41
Rot. Bonds3

About (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide

(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide (PubChem CID 143912781) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
PubChem CID143912781
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H18N2O2/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19)/t13?,14-/m0/s1
InChIKeySHUHPYVSXYBIQB-KZUDCZAMSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912780
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 124726712
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
tert-butyl (2R)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 8927006
(2S)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2576189
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide (CID 143912781) is (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide is O=CN1CCC[C@H]1C(=O)NC1CCc2ccccc21.
What is the InChIKey of (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
The InChIKey is SHUHPYVSXYBIQB-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-10-17-9-3-6-14(17)15(19)16-13-8-7-11-4-1-2-5-12(11)13/h1-2,4-5,10,13-14H,3,6-9H2,(H,16,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide?
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143912781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).