5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C10H17NO — CID 131130620

IUPAC5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3
InChIKeyNNMYXVUDBPYHDF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.26
Rot. Bonds2

About 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 131130620) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID131130620
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3
InChIKeyNNMYXVUDBPYHDF-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 178467190
5-[(1-Fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131101853
5-(2-Fluorobutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131131578
5-Propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 21355469
2-Oxa-5-azabicyclo[2.2.1]heptane, 5-methyl-, (1S,4S)-
CID 22967052
(1S,4S)-5-propyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57640204
(4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57770253
(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57785740
5-Tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57938754
(1R,4R)-5-(4,4-dimethylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57979614
(1S,4R)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 58283768
(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 58573295

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 131130620) is 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC1(CN2CC3CC2CO3)CC1.
What is the InChIKey of 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is NNMYXVUDBPYHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2-3-10)7-11-5-9-4-8(11)6-12-9/h8-9H,2-7H2,1H3.
What are the key properties of 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 167.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131130620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).