(E)-1-(1H-indol-3-yl)non-2-en-1-one

C17H21NO — CID 22400476

IUPAC(E)-1-(1H-indol-3-yl)non-2-en-1-one
SMILESCCCCCC/C=C/C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c1-2-3-4-5-6-7-12-17(19)15-13-18-16-11-9-8-10-14(15)16/h7-13,18H,2-6H2,1H3/b12-7+
InChIKeyHWENXGARJYRXBR-KPKJPENVSA-N
MW255.36 g/mol
LogP4.88
Rot. Bonds7

About (E)-1-(1H-indol-3-yl)non-2-en-1-one

(E)-1-(1H-indol-3-yl)non-2-en-1-one (PubChem CID 22400476) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)non-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)non-2-en-1-one
PubChem CID22400476
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(E)-1-(1H-indol-3-yl)non-2-en-1-one
SMILESCCCCCC/C=C/C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H21NO/c1-2-3-4-5-6-7-12-17(19)15-13-18-16-11-9-8-10-14(15)16/h7-13,18H,2-6H2,1H3/b12-7+
InChIKeyHWENXGARJYRXBR-KPKJPENVSA-N
XLogP4.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1H-indol-3-yl)dec-2-en-1-one
CID 22400542
(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
CID 14840067
CID 175447632
CID 175447632
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
3-(3-hydroxyundec-4-enyl)-1H-quinolin-4-one
CID 67860580
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
3-(2-undec-2-enoylphenyl)propanamide
CID 141158106
undecan-5-yl 1H-indole-3-carboxylate
CID 151684250
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)non-2-en-1-one?
The IUPAC name of (E)-1-(1H-indol-3-yl)non-2-en-1-one (CID 22400476) is (E)-1-(1H-indol-3-yl)non-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)non-2-en-1-one?
The canonical SMILES for (E)-1-(1H-indol-3-yl)non-2-en-1-one is CCCCCC/C=C/C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)non-2-en-1-one?
The InChIKey is HWENXGARJYRXBR-KPKJPENVSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-3-4-5-6-7-12-17(19)15-13-18-16-11-9-8-10-14(15)16/h7-13,18H,2-6H2,1H3/b12-7+.
What are the key properties of (E)-1-(1H-indol-3-yl)non-2-en-1-one?
(E)-1-(1H-indol-3-yl)non-2-en-1-one has a molecular weight of 255.36 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)non-2-en-1-one is sourced from PubChem (CID 22400476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).