(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one

C8H11NO2 — CID 163915753

IUPAC(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one
SMILESCN1CC2O[C@H]2C2(CC2)C1=O
InChIInChI=1S/C8H11NO2/c1-9-4-5-6(11-5)8(2-3-8)7(9)10/h5-6H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyQWCDKXAKTFKBPC-PRJDIBJQSA-N
MW153.18 g/mol
LogP0.01
Rot. Bonds

About (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one

(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one (PubChem CID 163915753) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one
PubChem CID163915753
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one
SMILESCN1CC2O[C@H]2C2(CC2)C1=O
InChIInChI=1S/C8H11NO2/c1-9-4-5-6(11-5)8(2-3-8)7(9)10/h5-6H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyQWCDKXAKTFKBPC-PRJDIBJQSA-N
XLogP0.01
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one with MolForge

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Related Compounds

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CID 134297864
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CID 97452819
4-(4-fluorophenyl)-2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 67986626
6-methyl-1,2-dioxa-6-azaspiro[2.4]heptan-7-one
CID 139769508
2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one
CID 156547568
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
8-(furan-2-ylmethyl)-2-methyl-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662088
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
(1S,5R)-1-acetyl-6-methoxy-3-methyl-3,6-diazabicyclo[3.1.0]hexan-2-one
CID 11137795
(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
CID 155363840
5-ethyl-1,3,3,4-tetramethylpiperazin-2-one
CID 175555162
3,3-diethyl-1,5-dimethylpiperidine-2,4-dione
CID 154125382

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one?
The IUPAC name of (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one (CID 163915753) is (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one.
What is the SMILES notation for (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one?
The canonical SMILES for (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one is CN1CC2O[C@H]2C2(CC2)C1=O.
What is the InChIKey of (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one?
The InChIKey is QWCDKXAKTFKBPC-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-4-5-6(11-5)8(2-3-8)7(9)10/h5-6H,2-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one?
(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one is sourced from PubChem (CID 163915753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).