O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine

C7H11NO — CID 142053932

IUPACO-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
SMILESNOCC1=CC=CCC1
InChIInChI=1S/C7H11NO/c8-9-6-7-4-2-1-3-5-7/h1-2,4H,3,5-6,8H2
InChIKeyGEEUXCJWEUWTMF-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.15
Rot. Bonds2

About O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine

O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine (PubChem CID 142053932) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
PubChem CID142053932
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameO-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
SMILESNOCC1=CC=CCC1
InChIInChI=1S/C7H11NO/c8-9-6-7-4-2-1-3-5-7/h1-2,4H,3,5-6,8H2
InChIKeyGEEUXCJWEUWTMF-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethoxymethyl)cyclohexa-1,3-diene
CID 90055907
(1E,3Z)-1-(methoxymethyl)cycloocta-1,3-diene
CID 66889881
cyclohexa-1,3-dien-1-ylmethyl N-pentylcarbamate
CID 169149930
1-amino-3-cyclohexa-1,3-dien-1-ylpropan-2-one
CID 156648608
[cyclohexa-1,3-dien-1-ylmethyl(fluorooxy)phosphoryl] hypofluorite
CID 173223032
4-cyclohexa-1,3-dien-1-ylbutane-1-thiol
CID 118054352
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
2-(cyclohexa-1,3-dien-1-ylmethylamino)oxyethanol
CID 88993612
butane;1-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methylbenzene;ethane;pyridine
CID 143129263
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
1-(2-nitroethyl)cyclohexa-1,3-diene
CID 166040137
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542

Frequently Asked Questions

What is the IUPAC name of O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine?
The IUPAC name of O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine (CID 142053932) is O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine?
The canonical SMILES for O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine is NOCC1=CC=CCC1.
What is the InChIKey of O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine?
The InChIKey is GEEUXCJWEUWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-9-6-7-4-2-1-3-5-7/h1-2,4H,3,5-6,8H2.
What are the key properties of O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine?
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine has a molecular weight of 125.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine is sourced from PubChem (CID 142053932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).