(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol

C10H15NO2 — CID 129437844

IUPAC(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol
SMILESON=C1[C@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@H]1C3
InChIInChI=1S/C10H15NO2/c12-10-7-2-5-1-6(4-7)9(11-13)8(10)3-5/h5-8,10,12-13H,1-4H2/t5-,6-,7-,8-,10-/m0/s1
InChIKeyBXKSYBSFYXAENA-RPLNLOMXSA-N
MW181.23 g/mol
LogP1.24
Rot. Bonds

About (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol

(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol (PubChem CID 129437844) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol.

Molecular Properties

Compound Name(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol
PubChem CID129437844
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol
SMILESON=C1[C@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@H]1C3
InChIInChI=1S/C10H15NO2/c12-10-7-2-5-1-6(4-7)9(11-13)8(10)3-5/h5-8,10,12-13H,1-4H2/t5-,6-,7-,8-,10-/m0/s1
InChIKeyBXKSYBSFYXAENA-RPLNLOMXSA-N
XLogP1.24
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-(4-methyl-2-adamantylidene)hydroxylamine
CID 142199643
(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol
CID 101350976
(1S,3R,4S,5R,7R)-4-hydroxyadamantan-2-one
CID 98044026
(1R,3S,4S,5S,7R)-4-hydroxyadamantan-2-one
CID 15561422
N-(6-ethenyl-2-adamantylidene)hydroxylamine
CID 87326710
(1R,2R,3R,5S,7S)-4-oxoadamantane-2-carboxylic acid
CID 11859729
(1S,2R,3R,5S,7R)-4-oxoadamantane-2-carboxylic acid
CID 99935696
4-(hydroxymethyl)adamantan-2-one
CID 578149
(1S,3R,5R,7S)-2-chloro-4-propan-2-ylideneadamantane
CID 131037917
(1R,3S,4S,5R,7S)-4-iodoadamantan-2-one
CID 98536749
tricyclo[4.3.1.13,8]undecan-4-amine;(NZ)-N-(4-tricyclo[4.3.1.13,8]undecanylidene)hydroxylamine
CID 172972036
4-azatricyclo[4.3.1.13,8]undecan-2-ol
CID 12518461

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol?
The IUPAC name of (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol (CID 129437844) is (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol.
What is the SMILES notation for (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol?
The canonical SMILES for (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol is ON=C1[C@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@H]1C3.
What is the InChIKey of (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol?
The InChIKey is BXKSYBSFYXAENA-RPLNLOMXSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-7-2-5-1-6(4-7)9(11-13)8(10)3-5/h5-8,10,12-13H,1-4H2/t5-,6-,7-,8-,10-/m0/s1.
What are the key properties of (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol?
(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol is sourced from PubChem (CID 129437844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).