3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one

C19H18N2O — CID 67816686

IUPAC3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1cccc2c1[nH]c1ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C19H18N2O/c22-18(17-9-4-12-20-17)11-10-13-5-3-7-15-14-6-1-2-8-16(14)21-19(13)15/h1-3,5-8,10-11,17,20-21H,4,9,12H2/t17-/m0/s1
InChIKeyLTWYWLUTJFKPAX-KRWDZBQOSA-N
MW290.37 g/mol
LogP3.66
Rot. Bonds3

About 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one

3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one (PubChem CID 67816686) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one
PubChem CID67816686
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one
SMILESO=C(C=Cc1cccc2c1[nH]c1ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C19H18N2O/c22-18(17-9-4-12-20-17)11-10-13-5-3-7-15-14-6-1-2-8-16(14)21-19(13)15/h1-3,5-8,10-11,17,20-21H,4,9,12H2/t17-/m0/s1
InChIKeyLTWYWLUTJFKPAX-KRWDZBQOSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
CID 162411869
9H-carbazole-1-carbothialdehyde
CID 87924889
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
phenyl(piperidin-2-yl)methanone
CID 19772085
9H-carbazole;carbonic acid
CID 67577328
1-cyclopentyl-9H-carbazole
CID 173176486
N-(9H-carbazol-1-yl)benzamide
CID 138533611
(2S)-pyrrolidine-2-carboxylic acid;styrene
CID 175001935
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
(E)-3-(2,4-dioxo-1H-quinazolin-8-yl)prop-2-enoic acid
CID 22457661

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one?
The IUPAC name of 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one (CID 67816686) is 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one?
The canonical SMILES for 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one is O=C(C=Cc1cccc2c1[nH]c1ccccc12)[C@@H]1CCCN1.
What is the InChIKey of 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one?
The InChIKey is LTWYWLUTJFKPAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O/c22-18(17-9-4-12-20-17)11-10-13-5-3-7-15-14-6-1-2-8-16(14)21-19(13)15/h1-3,5-8,10-11,17,20-21H,4,9,12H2/t17-/m0/s1.
What are the key properties of 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one?
3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one has a molecular weight of 290.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-one is sourced from PubChem (CID 67816686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).