3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

C10H17NO — CID 119054652

IUPAC3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CN1CC1CC1
InChIInChI=1S/C10H17NO/c1-7-4-9-10(12-9)6-11(7)5-8-2-3-8/h7-10H,2-6H2,1H3
InChIKeyZALJATGTLBAIGI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.26
Rot. Bonds2

About 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane

3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (PubChem CID 119054652) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
PubChem CID119054652
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CN1CC1CC1
InChIInChI=1S/C10H17NO/c1-7-4-9-10(12-9)6-11(7)5-8-2-3-8/h7-10H,2-6H2,1H3
InChIKeyZALJATGTLBAIGI-UHFFFAOYSA-N
XLogP1.26
TPSA15.77 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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylmethyl)-5-methylpyrrolidin-3-ol
CID 127682151
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
CID 62387329
1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302701
(2S,3aS,7aS)-6-(cyclopropylmethyl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97385072
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
[4-(cyclobutylmethyl)-5-methylmorpholin-2-yl]methanamine
CID 81218473
6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
CID 174261411
2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
CID 102936772
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
CID 119931942

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane (CID 119054652) is 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is CC1CC2OC2CN1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
The InChIKey is ZALJATGTLBAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-4-9-10(12-9)6-11(7)5-8-2-3-8/h7-10H,2-6H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane?
3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]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 3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 119054652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).