(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine

C13H16N2O — CID 137469262

IUPAC(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O/c1-10(2)16-14-8-11-9-15(3)13-7-5-4-6-12(11)13/h4-10H,1-3H3/b14-8+
InChIKeyARAPOYPJQBATFP-RIYZIHGNSA-N
MW216.28 g/mol
LogP2.94
Rot. Bonds3

About (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine

(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine (PubChem CID 137469262) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine
PubChem CID137469262
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O/c1-10(2)16-14-8-11-9-15(3)13-7-5-4-6-12(11)13/h4-10H,1-3H3/b14-8+
InChIKeyARAPOYPJQBATFP-RIYZIHGNSA-N
XLogP2.94
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 58652160
CID 58652160
N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
CID 2321746
1-methyl-3-propan-2-ylindole
CID 10942942
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
1-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
(2Z)-3-methyl-2-[(1-methylindol-3-yl)methylidene]butanal
CID 107236547
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
3-chloro-4-methoxy-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110505378
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
CID 6852139

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine?
The IUPAC name of (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine (CID 137469262) is (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine.
What is the SMILES notation for (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine?
The canonical SMILES for (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine is CC(C)O/N=C/c1cn(C)c2ccccc12.
What is the InChIKey of (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine?
The InChIKey is ARAPOYPJQBATFP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)16-14-8-11-9-15(3)13-7-5-4-6-12(11)13/h4-10H,1-3H3/b14-8+.
What are the key properties of (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine?
(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine has a molecular weight of 216.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine is sourced from PubChem (CID 137469262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).