N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine

C10H10N2O — CID 131861438

IUPACN-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
SMILESON=CCc1cccc2[nH]ccc12
InChIInChI=1S/C10H10N2O/c13-12-7-4-8-2-1-3-10-9(8)5-6-11-10/h1-3,5-7,11,13H,4H2
InChIKeyLGSFDLTVGDVFOQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.17
Rot. Bonds2

About N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine

N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine (PubChem CID 131861438) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
PubChem CID131861438
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
SMILESON=CCc1cccc2[nH]ccc12
InChIInChI=1S/C10H10N2O/c13-12-7-4-8-2-1-3-10-9(8)5-6-11-10/h1-3,5-7,11,13H,4H2
InChIKeyLGSFDLTVGDVFOQ-UHFFFAOYSA-N
XLogP2.17
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

1H-indol-4-ol
CID 102220556
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
4-(iodomethyl)-1H-indole
CID 143791617
ethane;1H-indol-4-ylmethanamine
CID 144540106
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
4-(isocyanomethyl)-1H-indole
CID 83479881
2-amino-4-(1H-indol-4-yl)butanoic acid
CID 69406659
4-(3-methylbut-3-enyl)-1H-indole
CID 14010474
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine (CID 131861438) is N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine is ON=CCc1cccc2[nH]ccc12.
What is the InChIKey of N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine?
The InChIKey is LGSFDLTVGDVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-12-7-4-8-2-1-3-10-9(8)5-6-11-10/h1-3,5-7,11,13H,4H2.
What are the key properties of N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine?
N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine has a molecular weight of 174.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 131861438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).