N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide

C16H16N2O2 — CID 142165781

IUPACN-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
SMILESC=C(NC(C)=O)/C(=C/c1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C16H16N2O2/c1-10(18-12(3)20)15(11(2)19)8-13-9-17-16-7-5-4-6-14(13)16/h4-9,17H,1H2,2-3H3,(H,18,20)/b15-8-
InChIKeyLUNHXNFSHLWHGD-NVNXTCNLSA-N
MW268.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide

N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide (PubChem CID 142165781) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
PubChem CID142165781
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
SMILESC=C(NC(C)=O)/C(=C/c1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C16H16N2O2/c1-10(18-12(3)20)15(11(2)19)8-13-9-17-16-7-5-4-6-14(13)16/h4-9,17H,1H2,2-3H3,(H,18,20)/b15-8-
InChIKeyLUNHXNFSHLWHGD-NVNXTCNLSA-N
XLogP2.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2-[[(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoyl]amino]-2-methylpropanamide
CID 155433325
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate
CID 54348317
2-[[(2E)-2-(1H-indol-3-ylmethylidene)-4-oxo-4-phenylbutanoyl]amino]acetic acid
CID 70676877
N-[(2E)-4-aminopenta-2,4-dien-2-yl]-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143161684
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide?
The IUPAC name of N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide (CID 142165781) is N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide?
The canonical SMILES for N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide is C=C(NC(C)=O)/C(=C/c1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide?
The InChIKey is LUNHXNFSHLWHGD-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10(18-12(3)20)15(11(2)19)8-13-9-17-16-7-5-4-6-14(13)16/h4-9,17H,1H2,2-3H3,(H,18,20)/b15-8-.
What are the key properties of N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide?
N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide is sourced from PubChem (CID 142165781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).