5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole

C13H23N — CID 102519273

IUPAC5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)=CCCC(C)C1CCC(C)=N1
InChIInChI=1S/C13H23N/c1-10(2)6-5-7-11(3)13-9-8-12(4)14-13/h6,11,13H,5,7-9H2,1-4H3
InChIKeyGREWKWOKHMBDEW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds4

About 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole

5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 102519273) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
PubChem CID102519273
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
SMILESCC(C)=CCCC(C)C1CCC(C)=N1
InChIInChI=1S/C13H23N/c1-10(2)6-5-7-11(3)13-9-8-12(4)14-13/h6,11,13H,5,7-9H2,1-4H3
InChIKeyGREWKWOKHMBDEW-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6445873
CID 6445873
Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(1R,5S)-3,6-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 14143771
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole (CID 102519273) is 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole is CC(C)=CCCC(C)C1CCC(C)=N1.
What is the InChIKey of 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GREWKWOKHMBDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)6-5-7-11(3)13-9-8-12(4)14-13/h6,11,13H,5,7-9H2,1-4H3.
What are the key properties of 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole?
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102519273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).