(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one

C13H14N2O — CID 11820554

IUPAC(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1cccc2cc[nH]c12
InChIInChI=1S/C13H14N2O/c1-9(8-10(2)16)15-12-5-3-4-11-6-7-14-13(11)12/h3-8,14-15H,1-2H3/b9-8-
InChIKeyLFGQNPKELARTEW-HJWRWDBZSA-N
MW214.27 g/mol
LogP3.07
Rot. Bonds3

About (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one

(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one (PubChem CID 11820554) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
PubChem CID11820554
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
SMILESCC(=O)/C=C(/C)Nc1cccc2cc[nH]c12
InChIInChI=1S/C13H14N2O/c1-9(8-10(2)16)15-12-5-3-4-11-6-7-14-13(11)12/h3-8,14-15H,1-2H3/b9-8-
InChIKeyLFGQNPKELARTEW-HJWRWDBZSA-N
XLogP3.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.07
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

1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
CID 69027217
N-(1H-indol-7-yl)-2,4-dimethylfuran-3-carboxamide
CID 112526566
4-(1H-indol-7-yl)but-3-en-2-one
CID 68785878
N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112526586
N-propan-2-yl-1H-indol-7-amine
CID 83481688
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 71834899
1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
CID 10172203
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride
CID 139181225

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one (CID 11820554) is (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one is CC(=O)/C=C(/C)Nc1cccc2cc[nH]c12.
What is the InChIKey of (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one?
The InChIKey is LFGQNPKELARTEW-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(8-10(2)16)15-12-5-3-4-11-6-7-14-13(11)12/h3-8,14-15H,1-2H3/b9-8-.
What are the key properties of (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one?
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one has a molecular weight of 214.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one is sourced from PubChem (CID 11820554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).