N-cyclohexa-2,4-dien-1-ylhydroxylamine

C6H9NO — CID 123806769

IUPACN-cyclohexa-2,4-dien-1-ylhydroxylamine
SMILESONC1C=CC=CC1
InChIInChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-4,6-8H,5H2
InChIKeyDHOHIOFEFNOMJS-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.85
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylhydroxylamine

N-cyclohexa-2,4-dien-1-ylhydroxylamine (PubChem CID 123806769) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylhydroxylamine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylhydroxylamine
PubChem CID123806769
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-cyclohexa-2,4-dien-1-ylhydroxylamine
SMILESONC1C=CC=CC1
InChIInChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-4,6-8H,5H2
InChIKeyDHOHIOFEFNOMJS-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropylcyclohexa-2,4-dien-1-amine
CID 148926844
sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid
CID 174620375
N-[1-(4-methylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-amine
CID 166813215
tris(cyclohexa-2,4-diene-1-carboxylate);iron(3+)
CID 175217418
cyclohexa-2,4-dien-1-ylboronic acid
CID 67679681
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
CID 11001591
5-bromocyclohexa-1,3-diene
CID 527557
2-amino-N-cyclohexa-2,4-dien-1-yl-N'-cyclohex-3-en-1-ylpropanediamide
CID 123380917
cyclohexa-2,4-diene-1-thiol
CID 18734712
N-cyclohexa-2,4-dien-1-yl-4-(1,3-dioxan-2-yl)aniline
CID 123711007
di(cyclohexa-2,4-dien-1-yl)diazene
CID 19800876
N-[1-[(5R)-3-methyl-1,3-oxazolidin-5-yl]ethyl]cyclohexa-2,4-dien-1-amine
CID 163655813

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylhydroxylamine?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylhydroxylamine (CID 123806769) is N-cyclohexa-2,4-dien-1-ylhydroxylamine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylhydroxylamine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylhydroxylamine is ONC1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylhydroxylamine?
The InChIKey is DHOHIOFEFNOMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-4,6-8H,5H2.
What are the key properties of N-cyclohexa-2,4-dien-1-ylhydroxylamine?
N-cyclohexa-2,4-dien-1-ylhydroxylamine has a molecular weight of 111.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylhydroxylamine is sourced from PubChem (CID 123806769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).