(6-amino-2-bicyclo[2.2.0]hexanyl)methanol

C7H13NO — CID 171034756

IUPAC(6-amino-2-bicyclo[2.2.0]hexanyl)methanol
SMILESNC1CC2CC(CO)C12
InChIInChI=1S/C7H13NO/c8-6-2-4-1-5(3-9)7(4)6/h4-7,9H,1-3,8H2
InChIKeyURGHPUHFSHIBOC-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.04
Rot. Bonds1

About (6-amino-2-bicyclo[2.2.0]hexanyl)methanol

(6-amino-2-bicyclo[2.2.0]hexanyl)methanol (PubChem CID 171034756) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (6-amino-2-bicyclo[2.2.0]hexanyl)methanol.

Molecular Properties

Compound Name(6-amino-2-bicyclo[2.2.0]hexanyl)methanol
PubChem CID171034756
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(6-amino-2-bicyclo[2.2.0]hexanyl)methanol
SMILESNC1CC2CC(CO)C12
InChIInChI=1S/C7H13NO/c8-6-2-4-1-5(3-9)7(4)6/h4-7,9H,1-3,8H2
InChIKeyURGHPUHFSHIBOC-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-bicyclo[2.2.0]hexanyl)methanol?
The IUPAC name of (6-amino-2-bicyclo[2.2.0]hexanyl)methanol (CID 171034756) is (6-amino-2-bicyclo[2.2.0]hexanyl)methanol.
What is the SMILES notation for (6-amino-2-bicyclo[2.2.0]hexanyl)methanol?
The canonical SMILES for (6-amino-2-bicyclo[2.2.0]hexanyl)methanol is NC1CC2CC(CO)C12.
What is the InChIKey of (6-amino-2-bicyclo[2.2.0]hexanyl)methanol?
The InChIKey is URGHPUHFSHIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-2-4-1-5(3-9)7(4)6/h4-7,9H,1-3,8H2.
What are the key properties of (6-amino-2-bicyclo[2.2.0]hexanyl)methanol?
(6-amino-2-bicyclo[2.2.0]hexanyl)methanol has a molecular weight of 127.19 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-bicyclo[2.2.0]hexanyl)methanol is sourced from PubChem (CID 171034756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).