(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine

C14H14N2O3 — CID 136675747

IUPAC(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine
SMILESCOCOCC#Cc1c(/C=N\O)[nH]c2ccccc12
InChIInChI=1S/C14H14N2O3/c1-18-10-19-8-4-6-12-11-5-2-3-7-13(11)16-14(12)9-15-17/h2-3,5,7,9,16-17H,8,10H2,1H3/b15-9-
InChIKeyODJSZIWQOJRZJH-DHDCSXOGSA-N
MW258.28 g/mol
LogP1.95
Rot. Bonds4

About (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine

(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine (PubChem CID 136675747) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine
PubChem CID136675747
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine
SMILESCOCOCC#Cc1c(/C=N\O)[nH]c2ccccc12
InChIInChI=1S/C14H14N2O3/c1-18-10-19-8-4-6-12-11-5-2-3-7-13(11)16-14(12)9-15-17/h2-3,5,7,9,16-17H,8,10H2,1H3/b15-9-
InChIKeyODJSZIWQOJRZJH-DHDCSXOGSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine (CID 136675747) is (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine is COCOCC#Cc1c(/C=N\O)[nH]c2ccccc12.
What is the InChIKey of (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine?
The InChIKey is ODJSZIWQOJRZJH-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-10-19-8-4-6-12-11-5-2-3-7-13(11)16-14(12)9-15-17/h2-3,5,7,9,16-17H,8,10H2,1H3/b15-9-.
What are the key properties of (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine?
(NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine has a molecular weight of 258.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-[3-(methoxymethoxy)prop-1-ynyl]-1H-indol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 136675747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).