6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane

C13H19NO — CID 155716963

IUPAC6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
SMILESCC.CC1(C)C=CC2=C(C=C1)NC(=O)C2
InChIInChI=1S/C11H13NO.C2H6/c1-11(2)5-3-8-7-10(13)12-9(8)4-6-11;1-2/h3-6H,7H2,1-2H3,(H,12,13);1-2H3
InChIKeyNMMZOTBOIAZDOV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds

About 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane

6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane (PubChem CID 155716963) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane.

Molecular Properties

Compound Name6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
PubChem CID155716963
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
SMILESCC.CC1(C)C=CC2=C(C=C1)NC(=O)C2
InChIInChI=1S/C11H13NO.C2H6/c1-11(2)5-3-8-7-10(13)12-9(8)4-6-11;1-2/h3-6H,7H2,1-2H3,(H,12,13);1-2H3
InChIKeyNMMZOTBOIAZDOV-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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7,7-dimethyl-4H-cyclohepta[b][1,4]thiazin-3-one
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10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
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1,3-dihydrocyclopenta[b]pyrrol-2-one
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CID 142049970
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CID 163798911
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CID 154685717
1,3-dihydroindol-2-one;ethane
CID 54350510
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane?
The IUPAC name of 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane (CID 155716963) is 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane.
What is the SMILES notation for 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane?
The canonical SMILES for 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane is CC.CC1(C)C=CC2=C(C=C1)NC(=O)C2.
What is the InChIKey of 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane?
The InChIKey is NMMZOTBOIAZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-11(2)5-3-8-7-10(13)12-9(8)4-6-11;1-2/h3-6H,7H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane?
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane has a molecular weight of 205.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane is sourced from PubChem (CID 155716963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).