(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one

C8H11NO — CID 131021996

IUPAC(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESCC1=NC[C@@H]2CC(=O)[C@]12C
InChIInChI=1S/C8H11NO/c1-5-8(2)6(4-9-5)3-7(8)10/h6H,3-4H2,1-2H3/t6-,8+/m0/s1
InChIKeyQUPOSVNOHKJRMJ-POYBYMJQSA-N
MW137.18 g/mol
LogP1.06
Rot. Bonds

About (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one

(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one (PubChem CID 131021996) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
PubChem CID131021996
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESCC1=NC[C@@H]2CC(=O)[C@]12C
InChIInChI=1S/C8H11NO/c1-5-8(2)6(4-9-5)3-7(8)10/h6H,3-4H2,1-2H3/t6-,8+/m0/s1
InChIKeyQUPOSVNOHKJRMJ-POYBYMJQSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-4-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 131181459
(1R,5S)-5-methyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 134988543
(2aR,8aS)-2a,3,5,6,7,8-hexahydro-2H-cyclobuta[c]indol-1-one
CID 134988684
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575909
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575910
6-Azatricyclo[5.3.0.01,4]dec-6-en-2-one
CID 13600656
2,2-Dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one
CID 13600657
4-(5-methyl-3,4-dihydro-2H-pyrrol-4-yl)butan-2-one
CID 14081806
(2aR)-2a,3,5,6,7,8-hexahydro-2H-cyclobuta[c]indol-1-one
CID 133678141
4,5-Ditert-butyl-2,4-dihydropyrrol-3-one
CID 160676471

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one (CID 131021996) is (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one is CC1=NC[C@@H]2CC(=O)[C@]12C.
What is the InChIKey of (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is QUPOSVNOHKJRMJ-POYBYMJQSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-8(2)6(4-9-5)3-7(8)10/h6H,3-4H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one?
(1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 137.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4,5-dimethyl-3-azabicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 131021996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).