(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine

C17H13N3O2 — CID 136503374

IUPAC(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine
SMILESCn1ccc2cc(-c3c/c(=N\O)c4ccccc4o3)ncc21
InChIInChI=1S/C17H13N3O2/c1-20-7-6-11-8-14(18-10-15(11)20)17-9-13(19-21)12-4-2-3-5-16(12)22-17/h2-10,21H,1H3/b19-13+
InChIKeyWDWLYJIZBCWKLU-CPNJWEJPSA-N
MW291.31 g/mol
LogP3.28
Rot. Bonds1

About (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine

(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine (PubChem CID 136503374) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine
PubChem CID136503374
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine
SMILESCn1ccc2cc(-c3c/c(=N\O)c4ccccc4o3)ncc21
InChIInChI=1S/C17H13N3O2/c1-20-7-6-11-8-14(18-10-15(11)20)17-9-13(19-21)12-4-2-3-5-16(12)22-17/h2-10,21H,1H3/b19-13+
InChIKeyWDWLYJIZBCWKLU-CPNJWEJPSA-N
XLogP3.28
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butylharmine
CID 486624
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
9H-Pyrido[3,4-b]indole, 7-methoxy-1,9-dimethyl-
CID 486622
1-Benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11538092
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11558912
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine
CID 11616595
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11659585
2-(3-Piperidinopropoxyphenyl)indolizine
CID 17931612
1-(Cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 49864417
4-(8-Methoxy-1-methylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575650
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine
CID 54575718

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine (CID 136503374) is (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine is Cn1ccc2cc(-c3c/c(=N\O)c4ccccc4o3)ncc21.
What is the InChIKey of (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine?
The InChIKey is WDWLYJIZBCWKLU-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-20-7-6-11-8-14(18-10-15(11)20)17-9-13(19-21)12-4-2-3-5-16(12)22-17/h2-10,21H,1H3/b19-13+.
What are the key properties of (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine?
(NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine has a molecular weight of 291.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)chromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 136503374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).