(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine

C14H16N2O2 — CID 88658139

IUPAC(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine
SMILESCOc1ccc2c(C)c3n(c2c1)CCC/C3=N\O
InChIInChI=1S/C14H16N2O2/c1-9-11-6-5-10(18-2)8-13(11)16-7-3-4-12(15-17)14(9)16/h5-6,8,17H,3-4,7H2,1-2H3/b15-12+
InChIKeyYKRUTSZTSDHPPC-NTCAYCPXSA-N
MW244.29 g/mol
LogP2.93
Rot. Bonds1

About (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine

(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine (PubChem CID 88658139) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine
PubChem CID88658139
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine
SMILESCOc1ccc2c(C)c3n(c2c1)CCC/C3=N\O
InChIInChI=1S/C14H16N2O2/c1-9-11-6-5-10(18-2)8-13(11)16-7-3-4-12(15-17)14(9)16/h5-6,8,17H,3-4,7H2,1-2H3/b15-12+
InChIKeyYKRUTSZTSDHPPC-NTCAYCPXSA-N
XLogP2.93
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine (CID 88658139) is (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine is COc1ccc2c(C)c3n(c2c1)CCC/C3=N\O.
What is the InChIKey of (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine?
The InChIKey is YKRUTSZTSDHPPC-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-11-6-5-10(18-2)8-13(11)16-7-3-4-12(15-17)14(9)16/h5-6,8,17H,3-4,7H2,1-2H3/b15-12+.
What are the key properties of (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine?
(NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine has a molecular weight of 244.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methoxy-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-ylidene)hydroxylamine is sourced from PubChem (CID 88658139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).