(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

C8H13N — CID 98595834

IUPAC(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1=C[C@@H]2CCC[C@H]2N1
InChIInChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyLGNYIHXMQAPCFD-JGVFFNPUSA-N
MW123.20 g/mol
LogP1.66
Rot. Bonds

About (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (PubChem CID 98595834) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
PubChem CID98595834
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1=C[C@@H]2CCC[C@H]2N1
InChIInChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3/t7-,8+/m0/s1
InChIKeyLGNYIHXMQAPCFD-JGVFFNPUSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 57452722
(4R,7aS)-3,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 155185540
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
2-methyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophene
CID 59102792
3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrazole
CID 129213561
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole
CID 22524102
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
(4aR,7aS)-6-(6-bromo-5-methyl-3-pyridinyl)-2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[b]pyridine
CID 87915567
5-cyclobutyl-2,3-dimethyl-1,5-dihydropyrazole
CID 147453175
(4aR,9S)-2-methyl-9-(trifluoromethyl)-1,3a,4,4a,5,6,7,8,8a,9-decahydropyrazolo[5,1-b]quinazoline
CID 143778560
(4aS,7aS)-4-(2,3-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676041

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The IUPAC name of (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (CID 98595834) is (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The canonical SMILES for (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is CC1=C[C@@H]2CCC[C@H]2N1.
What is the InChIKey of (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The InChIKey is LGNYIHXMQAPCFD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
(3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 98595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).