N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine

C20H20FN3O — CID 161277789

IUPACN-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine
SMILESNC1CCc2c(c3cc(C=NO)ccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C20H20FN3O/c21-15-3-1-2-14(8-15)12-24-19-6-4-13(11-23-25)9-17(19)18-10-16(22)5-7-20(18)24/h1-4,6,8-9,11,16,25H,5,7,10,12,22H2
InChIKeyYTANKJRAJQRMOF-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.45
Rot. Bonds3

About N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine

N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine (PubChem CID 161277789) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine
PubChem CID161277789
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine
SMILESNC1CCc2c(c3cc(C=NO)ccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C20H20FN3O/c21-15-3-1-2-14(8-15)12-24-19-6-4-13(11-23-25)9-17(19)18-10-16(22)5-7-20(18)24/h1-4,6,8-9,11,16,25H,5,7,10,12,22H2
InChIKeyYTANKJRAJQRMOF-UHFFFAOYSA-N
XLogP3.45
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine (CID 161277789) is N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine is NC1CCc2c(c3cc(C=NO)ccc3n2Cc2cccc(F)c2)C1.
What is the InChIKey of N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine?
The InChIKey is YTANKJRAJQRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-15-3-1-2-14(8-15)12-24-19-6-4-13(11-23-25)9-17(19)18-10-16(22)5-7-20(18)24/h1-4,6,8-9,11,16,25H,5,7,10,12,22H2.
What are the key properties of N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine?
N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine has a molecular weight of 337.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 161277789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).