cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C9H13NO2 — CID 97181337

IUPACcyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C9H13NO2/c11-9(6-1-2-6)10-4-3-7-8(5-10)12-7/h6-8H,1-5H2/t7-,8+/m0/s1
InChIKeyAFQUGFZOWPOSBR-JGVFFNPUSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds1

About cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone

cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 97181337) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID97181337
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namecyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H]2O[C@@H]2C1
InChIInChI=1S/C9H13NO2/c11-9(6-1-2-6)10-4-3-7-8(5-10)12-7/h6-8H,1-5H2/t7-,8+/m0/s1
InChIKeyAFQUGFZOWPOSBR-JGVFFNPUSA-N
XLogP0.40
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
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

cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
CID 163257511
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114683325
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 155869695
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 172908968
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 97181337) is cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone is O=C(C1CC1)N1CC[C@@H]2O[C@@H]2C1.
What is the InChIKey of cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is AFQUGFZOWPOSBR-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H13NO2/c11-9(6-1-2-6)10-4-3-7-8(5-10)12-7/h6-8H,1-5H2/t7-,8+/m0/s1.
What are the key properties of cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 167.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 97181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).