(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine

C12H14N2O — CID 135449264

IUPAC(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-2-5-12(14-15)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13,15H,2,5H2,1H3/b14-12+
InChIKeyCXRSAJALXDIHPI-WYMLVPIESA-N
MW202.26 g/mol
LogP3.15
Rot. Bonds3

About (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine

(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine (PubChem CID 135449264) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
PubChem CID135449264
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c1-2-5-12(14-15)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13,15H,2,5H2,1H3/b14-12+
InChIKeyCXRSAJALXDIHPI-WYMLVPIESA-N
XLogP3.15
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.15
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

(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
CID 129320780
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-oxo-1H-indole-3-carboxamide
CID 88522766
3-hydroxyimino-4-(1H-indol-3-yl)butan-2-one
CID 130005249

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine (CID 135449264) is (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine is CCC/C(=N\O)c1c[nH]c2ccccc12.
What is the InChIKey of (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine?
The InChIKey is CXRSAJALXDIHPI-WYMLVPIESA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-5-12(14-15)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13,15H,2,5H2,1H3/b14-12+.
What are the key properties of (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine?
(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine has a molecular weight of 202.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine is sourced from PubChem (CID 135449264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).