(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol

C7H13NO2 — CID 154853019

IUPAC(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
SMILESNC12CCC(CO)(C1)OC2
InChIInChI=1S/C7H13NO2/c8-6-1-2-7(3-6,4-9)10-5-6/h9H,1-5,8H2
InChIKeyICWZPFAWMWQECW-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.37
Rot. Bonds1

About (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol

(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol (PubChem CID 154853019) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
PubChem CID154853019
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
SMILESNC12CCC(CO)(C1)OC2
InChIInChI=1S/C7H13NO2/c8-6-1-2-7(3-6,4-9)10-5-6/h9H,1-5,8H2
InChIKeyICWZPFAWMWQECW-UHFFFAOYSA-N
XLogP-0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
CID 123911016
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154856939
1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
CID 138040399
[(2S)-2-fluorooxiran-2-yl]methanol
CID 141069449
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
CID 138039578
4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CID 138991430
[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
CID 138039579
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
(1-aminocyclopentyl)methanol
CID 157241161
(3-amino-5,5-dimethyloxolan-3-yl)methanol
CID 130943268
(2-amino-5-oxaspiro[2.5]octan-2-yl)methanol
CID 84650597
2-[2-(4-iodo-2-oxabicyclo[2.2.2]octan-1-yl)ethoxy]acetic acid
CID 129090030

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The IUPAC name of (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol (CID 154853019) is (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol.
What is the SMILES notation for (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The canonical SMILES for (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol is NC12CCC(CO)(C1)OC2.
What is the InChIKey of (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol?
The InChIKey is ICWZPFAWMWQECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-1-2-7(3-6,4-9)10-5-6/h9H,1-5,8H2.
What are the key properties of (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol?
(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol has a molecular weight of 143.19 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol is sourced from PubChem (CID 154853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).