butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine

C17H21FN2O — CID 144679682

IUPACbutanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine
SMILESC=C/N=C(\C)c1cc2c(F)cccc2n1C.CCCC=O
InChIInChI=1S/C13H13FN2.C4H8O/c1-4-15-9(2)13-8-10-11(14)6-5-7-12(10)16(13)3;1-2-3-4-5/h4-8H,1H2,2-3H3;4H,2-3H2,1H3/b15-9+;
InChIKeyUDRNWPCVRFHSIF-NSPIFIKESA-N
MW288.37 g/mol
LogP4.26
Rot. Bonds4

About butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine

butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine (PubChem CID 144679682) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine.

Molecular Properties

Compound Namebutanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine
PubChem CID144679682
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Namebutanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine
SMILESC=C/N=C(\C)c1cc2c(F)cccc2n1C.CCCC=O
InChIInChI=1S/C13H13FN2.C4H8O/c1-4-15-9(2)13-8-10-11(14)6-5-7-12(10)16(13)3;1-2-3-4-5/h4-8H,1H2,2-3H3;4H,2-3H2,1H3/b15-9+;
InChIKeyUDRNWPCVRFHSIF-NSPIFIKESA-N
XLogP4.26
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
ethane;1-(1-ethyl-4-fluoroindol-2-yl)-2-methyl-N-propylprop-2-en-1-imine;formaldehyde
CID 144679703
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
CID 110833500
benzene-1,3-diol;butanal
CID 158563100
2-(ethylsulfanylmethyl)-4-fluoro-1-methylindole
CID 117173469
2-(4-fluoro-1-methylindol-2-yl)propan-1-ol
CID 117120428
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
CID 83918556
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
1-O-tert-butyl 2-O-ethyl 4-fluoroindole-1,2-dicarboxylate
CID 58941047
1-methyl-2-[(Z)-tetradec-3-enyl]quinolin-4-one
CID 50994736

Frequently Asked Questions

What is the IUPAC name of butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine?
The IUPAC name of butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine (CID 144679682) is butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine.
What is the SMILES notation for butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine?
The canonical SMILES for butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine is C=C/N=C(\C)c1cc2c(F)cccc2n1C.CCCC=O.
What is the InChIKey of butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine?
The InChIKey is UDRNWPCVRFHSIF-NSPIFIKESA-N. The full InChI is InChI=1S/C13H13FN2.C4H8O/c1-4-15-9(2)13-8-10-11(14)6-5-7-12(10)16(13)3;1-2-3-4-5/h4-8H,1H2,2-3H3;4H,2-3H2,1H3/b15-9+;.
What are the key properties of butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine?
butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine has a molecular weight of 288.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;N-ethenyl-1-(4-fluoro-1-methylindol-2-yl)ethanimine is sourced from PubChem (CID 144679682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).