(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one

C18H14N2O — CID 12648620

IUPAC(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c[nH]c2ccc3[nH]c4ccccc4c3c12
InChIInChI=1S/C18H14N2O/c1-11(21)6-7-12-10-19-15-8-9-16-18(17(12)15)13-4-2-3-5-14(13)20-16/h2-10,19-20H,1H3/b7-6+
InChIKeyUGTNFWGEGAUJAG-VOTSOKGWSA-N
MW274.32 g/mol
LogP4.40
Rot. Bonds2

About (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one

(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one (PubChem CID 12648620) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one
PubChem CID12648620
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c[nH]c2ccc3[nH]c4ccccc4c3c12
InChIInChI=1S/C18H14N2O/c1-11(21)6-7-12-10-19-15-8-9-16-18(17(12)15)13-4-2-3-5-14(13)20-16/h2-10,19-20H,1H3/b7-6+
InChIKeyUGTNFWGEGAUJAG-VOTSOKGWSA-N
XLogP4.40
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
(E)-4-(11-azatetracyclo[8.7.0.02,8.012,17]heptadeca-1,3,5,7,9,12,14,16-octaen-9-yl)but-3-en-2-one
CID 101244278
1-(3H-benzo[e]indol-1-yl)ethanone
CID 170857784
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
methyl 3-[(E)-3-oxobut-1-enyl]-1H-indole-6-carboxylate
CID 22627427
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
(3E,5E)-6-(1H-indol-3-yl)-5-methylhepta-3,5-dien-2-one
CID 23427115
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 15080381

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one?
The IUPAC name of (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one (CID 12648620) is (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one?
The canonical SMILES for (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one is CC(=O)/C=C/c1c[nH]c2ccc3[nH]c4ccccc4c3c12.
What is the InChIKey of (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one?
The InChIKey is UGTNFWGEGAUJAG-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H14N2O/c1-11(21)6-7-12-10-19-15-8-9-16-18(17(12)15)13-4-2-3-5-14(13)20-16/h2-10,19-20H,1H3/b7-6+.
What are the key properties of (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one?
(E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one has a molecular weight of 274.32 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,6-dihydropyrrolo[2,3-c]carbazol-1-yl)but-3-en-2-one is sourced from PubChem (CID 12648620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).