pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

C17H20N2O — CID 113203529

IUPACpyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCCC1
InChIInChI=1S/C17H20N2O/c20-17(19-9-3-4-10-19)12-7-8-16-14(11-12)13-5-1-2-6-15(13)18-16/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyIJMBPLJOAVJHDQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds1

About pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (PubChem CID 113203529) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
PubChem CID113203529
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Namepyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCCC1
InChIInChI=1S/C17H20N2O/c20-17(19-9-3-4-10-19)12-7-8-16-14(11-12)13-5-1-2-6-15(13)18-16/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyIJMBPLJOAVJHDQ-UHFFFAOYSA-N
XLogP2.90
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203576
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203593
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 90725768
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 59626250
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
CID 26318760
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (CID 113203529) is pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is O=C(C1CCc2[nH]c3ccccc3c2C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The InChIKey is IJMBPLJOAVJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(19-9-3-4-10-19)12-7-8-16-14(11-12)13-5-1-2-6-15(13)18-16/h1-2,5-6,12,18H,3-4,7-11H2.
What are the key properties of pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is sourced from PubChem (CID 113203529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).