(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one

C11H13NO — CID 123772305

IUPAC(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one
SMILESCC1CC=c2[nH]cc/c2=C/C(=O)C1
InChIInChI=1S/C11H13NO/c1-8-2-3-11-9(4-5-12-11)7-10(13)6-8/h3-5,7-8,12H,2,6H2,1H3/b9-7-,11-3?
InChIKeyBMUSVNBHFVLZON-LARSZMKOSA-N
MW175.23 g/mol
LogP0.57
Rot. Bonds

About (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one

(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one (PubChem CID 123772305) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one.

Molecular Properties

Compound Name(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one
PubChem CID123772305
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one
SMILESCC1CC=c2[nH]cc/c2=C/C(=O)C1
InChIInChI=1S/C11H13NO/c1-8-2-3-11-9(4-5-12-11)7-10(13)6-8/h3-5,7-8,12H,2,6H2,1H3/b9-7-,11-3?
InChIKeyBMUSVNBHFVLZON-LARSZMKOSA-N
XLogP0.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 177361127
5-tert-butyl-5-methyl-1,6-dihydroindole
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5-methyl-3-(pyridin-2-ylmethyl)cyclohex-2-en-1-one
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[(5R)-5-methyl-3-oxocyclohexen-1-yl] trifluoromethanesulfonate
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3-(methoxymethoxy)-5-methylcyclohex-2-en-1-one
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(4S)-3,4-dimethylcyclopent-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one?
The IUPAC name of (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one (CID 123772305) is (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one.
What is the SMILES notation for (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one?
The canonical SMILES for (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one is CC1CC=c2[nH]cc/c2=C/C(=O)C1.
What is the InChIKey of (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one?
The InChIKey is BMUSVNBHFVLZON-LARSZMKOSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-2-3-11-9(4-5-12-11)7-10(13)6-8/h3-5,7-8,12H,2,6H2,1H3/b9-7-,11-3?.
What are the key properties of (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one?
(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one has a molecular weight of 175.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one is sourced from PubChem (CID 123772305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).