(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol

C18H21NO — CID 137334834

IUPAC(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCc1ccc2ccccc2c1CN1C[C@H]2C[C@@H](O)[C@H]2C1
InChIInChI=1S/C18H21NO/c1-12-6-7-13-4-2-3-5-15(13)16(12)10-19-9-14-8-18(20)17(14)11-19/h2-7,14,17-18,20H,8-11H2,1H3/t14-,17+,18-/m1/s1
InChIKeyLYCWCAQOTCWJPV-FHLIZLRMSA-N
MW267.37 g/mol
LogP2.96
Rot. Bonds2

About (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol

(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 137334834) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID137334834
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCc1ccc2ccccc2c1CN1C[C@H]2C[C@@H](O)[C@H]2C1
InChIInChI=1S/C18H21NO/c1-12-6-7-13-4-2-3-5-15(13)16(12)10-19-9-14-8-18(20)17(14)11-19/h2-7,14,17-18,20H,8-11H2,1H3/t14-,17+,18-/m1/s1
InChIKeyLYCWCAQOTCWJPV-FHLIZLRMSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol (CID 137334834) is (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol is Cc1ccc2ccccc2c1CN1C[C@H]2C[C@@H](O)[C@H]2C1.
What is the InChIKey of (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is LYCWCAQOTCWJPV-FHLIZLRMSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-6-7-13-4-2-3-5-15(13)16(12)10-19-9-14-8-18(20)17(14)11-19/h2-7,14,17-18,20H,8-11H2,1H3/t14-,17+,18-/m1/s1.
What are the key properties of (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol?
(1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 267.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-3-[(2-methylnaphthalen-1-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 137334834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).