6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane

C9H15NO — CID 170583621

IUPAC6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESC1CC1CN1CC2(COC2)C1
InChIInChI=1S/C9H15NO/c1-2-8(1)3-10-4-9(5-10)6-11-7-9/h8H,1-7H2
InChIKeyAOWORQMMSTWVKA-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.73
Rot. Bonds2

About 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane

6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170583621) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170583621
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane
SMILESC1CC1CN1CC2(COC2)C1
InChIInChI=1S/C9H15NO/c1-2-8(1)3-10-4-9(5-10)6-11-7-9/h8H,1-7H2
InChIKeyAOWORQMMSTWVKA-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Butyl-2-oxa-6-azaspiro[3.3]heptane
CID 13778350
6-Propyl-2-oxa-6-azaspiro[3.3]heptane
CID 68346908
6-(3-Methylbutyl)-2-oxa-6-azaspiro[3.3]heptane
CID 118641840
6-(2-Methylpropyl)-2-oxa-6-azaspiro[3.3]heptane
CID 121401085
1-(Oxetan-3-ylmethyl)azetidine
CID 153594394
6-Butyl-2-oxa-6-azaspiro[3.3]heptane;ethane
CID 164877880
3-Ethyl-1-(oxetan-3-ylmethyl)azetidine
CID 167097828
3-Ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 169228979
2-Methyl-1-(oxetan-3-ylmethyl)azetidine
CID 169924423
(2S)-2-methyl-1-(oxetan-3-ylmethyl)azetidine
CID 169924424
(2R)-2-methyl-1-(oxetan-3-ylmethyl)azetidine
CID 169946645
6-[(1-Methylcyclopropyl)methyl]-2-oxa-6-azaspiro[3.3]heptane
CID 170583535

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane (CID 170583621) is 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane is C1CC1CN1CC2(COC2)C1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is AOWORQMMSTWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8(1)3-10-4-9(5-10)6-11-7-9/h8H,1-7H2.
What are the key properties of 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane?
6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 153.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170583621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).