2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one

C22H29N3O — CID 89418620

IUPAC2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one
SMILESC=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O
InChIInChI=1S/C22H29N3O/c1-13(24-15-8-9-23-11-15)14-6-7-17-16(10-14)18-19(25-17)20(26)22(4,5)12-21(18,2)3/h6-7,10,15,23-25H,1,8-9,11-12H2,2-5H3
InChIKeyXNOQVYIDEOVVEQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.98
Rot. Bonds3

About 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one

2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one (PubChem CID 89418620) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one
PubChem CID89418620
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one
SMILESC=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O
InChIInChI=1S/C22H29N3O/c1-13(24-15-8-9-23-11-15)14-6-7-17-16(10-14)18-19(25-17)20(26)22(4,5)12-21(18,2)3/h6-7,10,15,23-25H,1,8-9,11-12H2,2-5H3
InChIKeyXNOQVYIDEOVVEQ-UHFFFAOYSA-N
XLogP3.98
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-pyrrolidin-3-yl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609410
5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
CID 144535029
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276412
15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
CID 144534986
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid
CID 71276444
4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-N-pyrrolidin-3-ylbenzamide
CID 122626915
N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
CID 159311915
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119388268

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one?
The IUPAC name of 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one (CID 89418620) is 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one.
What is the SMILES notation for 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one?
The canonical SMILES for 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one is C=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O.
What is the InChIKey of 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one?
The InChIKey is XNOQVYIDEOVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-13(24-15-8-9-23-11-15)14-6-7-17-16(10-14)18-19(25-17)20(26)22(4,5)12-21(18,2)3/h6-7,10,15,23-25H,1,8-9,11-12H2,2-5H3.
What are the key properties of 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one?
2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one has a molecular weight of 351.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one is sourced from PubChem (CID 89418620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).