(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde

C8H13NO2 — CID 89086636

IUPAC(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1C[C@H]2CC1C[C@H]2NO
InChIInChI=1S/C8H13NO2/c10-4-7-2-6-1-5(7)3-8(6)9-11/h4-9,11H,1-3H2/t5?,6-,7?,8-/m1/s1
InChIKeyPBSIOPBDSGKGDJ-WMEPKMGJSA-N
MW155.20 g/mol
LogP0.58
Rot. Bonds2

About (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde

(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 89086636) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID89086636
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1C[C@H]2CC1C[C@H]2NO
InChIInChI=1S/C8H13NO2/c10-4-7-2-6-1-5(7)3-8(6)9-11/h4-9,11H,1-3H2/t5?,6-,7?,8-/m1/s1
InChIKeyPBSIOPBDSGKGDJ-WMEPKMGJSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 71327451
3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
CID 149368057
4-methyl-3-oxabicyclo[3.2.0]heptane-6-carbaldehyde
CID 86256624
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
(1S,5S)-bicyclo[3.1.0]hexane-3-carbaldehyde
CID 124571824
bicyclo[2.2.1]heptane-2,3-dicarbaldehyde
CID 13411221
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
CID 93496244
(2S,6R)-bicyclo[2.2.1]heptane-2,6-dicarbaldehyde
CID 87172258
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
CID 129267682
2-(4-hydroxyphenyl)cyclopropane-1-carbaldehyde
CID 75532034

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde (CID 89086636) is (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde is O=CC1C[C@H]2CC1C[C@H]2NO.
What is the InChIKey of (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is PBSIOPBDSGKGDJ-WMEPKMGJSA-N. The full InChI is InChI=1S/C8H13NO2/c10-4-7-2-6-1-5(7)3-8(6)9-11/h4-9,11H,1-3H2/t5?,6-,7?,8-/m1/s1.
What are the key properties of (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde?
(4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(hydroxyamino)bicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 89086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).