N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride

C17H19FN2O — CID 143915081

IUPACN-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C(\CC)Cc1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H19FN2O/c1-4-12(11-19-17(18)5-2)8-14-9-13-6-7-15(21-3)10-16(13)20-14/h5-7,9-11,20H,2,4,8H2,1,3H3/b12-11+,19-17-
InChIKeyYZMQBXJKYFWXCH-IPDVDUOXSA-N
MW286.35 g/mol
LogP4.57
Rot. Bonds6

About N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride

N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride (PubChem CID 143915081) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride
PubChem CID143915081
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C(\CC)Cc1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H19FN2O/c1-4-12(11-19-17(18)5-2)8-14-9-13-6-7-15(21-3)10-16(13)20-14/h5-7,9-11,20H,2,4,8H2,1,3H3/b12-11+,19-17-
InChIKeyYZMQBXJKYFWXCH-IPDVDUOXSA-N
XLogP4.57
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606
N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 6885107
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
2-cyclopropyl-6-methoxy-1H-indole
CID 69186205
N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 134003047
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride?
The IUPAC name of N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride (CID 143915081) is N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride?
The canonical SMILES for N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride is C=C/C(F)=N/C=C(\CC)Cc1cc2ccc(OC)cc2[nH]1.
What is the InChIKey of N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride?
The InChIKey is YZMQBXJKYFWXCH-IPDVDUOXSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-4-12(11-19-17(18)5-2)8-14-9-13-6-7-15(21-3)10-16(13)20-14/h5-7,9-11,20H,2,4,8H2,1,3H3/b12-11+,19-17-.
What are the key properties of N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride?
N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride has a molecular weight of 286.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(6-methoxy-1H-indol-2-yl)methyl]but-1-enyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 143915081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).