hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene

C8H11NO — CID 22460188

IUPAChydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC1=C2C=CC(=C1)C2.NO
InChIInChI=1S/C8H8.H3NO/c1-6-4-7-2-3-8(6)5-7;1-2/h2-4H,5H2,1H3;2H,1H2
InChIKeyHAFKIMOXKIXDIW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.54
Rot. Bonds

About hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene

hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 22460188) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Namehydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID22460188
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namehydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC1=C2C=CC(=C1)C2.NO
InChIInChI=1S/C8H8.H3NO/c1-6-4-7-2-3-8(6)5-7;1-2/h2-4H,5H2,1H3;2H,1H2
InChIKeyHAFKIMOXKIXDIW-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.54
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

2-bromobicyclo[2.2.1]hepta-1,3,5-triene;hydroxylamine
CID 20567906
bicyclo[2.2.1]hepta-1,3,5-triene-2-sulfonic acid
CID 174267331
2-chlorobicyclo[2.2.1]hepta-1,3,5-triene;cyclohexanone
CID 20978065
(1E,7E)-2-methylbicyclo[6.2.1]undeca-1,7,9-triene
CID 163429403
1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
CID 161312364
2,5-dimethyl-1,4-dihydropentalene
CID 149449471
3,4,7,8,27,28-hexamethyl-15,20-diphenylheptacyclo[24.2.1.12,5.16,9.111,14.116,19.121,24]tetratriaconta-1,3,5,7,9(33),10,12,14,16,18,20,22,24,26(29),27-pentadecaene
CID 101102761
6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
CID 12768990
(6Z)-6-ethylidene-3,4-dimethylcyclohexa-1,3-dien-1-ol
CID 147503380
(3Z,7E,11Z)-3,7,11-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11,14(18)-pentaene-15,17-dione
CID 10591064
5,7-dimethoxytricyclo[9.5.1.03,9]heptadeca-1,3(9),4,7,10,12,15-heptaene-6,14-dione
CID 101474914
1-methylcyclobutene;sulfane
CID 90109296

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene (CID 22460188) is hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene is CC1=C2C=CC(=C1)C2.NO.
What is the InChIKey of hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is HAFKIMOXKIXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.H3NO/c1-6-4-7-2-3-8(6)5-7;1-2/h2-4H,5H2,1H3;2H,1H2.
What are the key properties of hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene?
hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 137.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 22460188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).