5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C15H25N — CID 138507832

IUPAC5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC/C=C\C=C/CCC1CC2CN(C)CC2C1
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-13-9-14-11-16(2)12-15(14)10-13/h3-6,13-15H,7-12H2,1-2H3/b4-3-,6-5-
InChIKeyPBCNHHNFRNZRSR-OUPQRBNQSA-N
MW219.37 g/mol
LogP3.49
Rot. Bonds4

About 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 138507832) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID138507832
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC/C=C\C=C/CCC1CC2CN(C)CC2C1
InChIInChI=1S/C15H25N/c1-3-4-5-6-7-8-13-9-14-11-16(2)12-15(14)10-13/h3-6,13-15H,7-12H2,1-2H3/b4-3-,6-5-
InChIKeyPBCNHHNFRNZRSR-OUPQRBNQSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 138507832) is 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C/C=C\C=C/CCC1CC2CN(C)CC2C1.
What is the InChIKey of 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PBCNHHNFRNZRSR-OUPQRBNQSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-6-7-8-13-9-14-11-16(2)12-15(14)10-13/h3-6,13-15H,7-12H2,1-2H3/b4-3-,6-5-.
What are the key properties of 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 219.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5Z)-hepta-3,5-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 138507832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).