3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole

C14H23N — CID 129238767

IUPAC3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole
SMILESC=C/C(C1=CCN(C)C1)=C(\C)CC(C)C
InChIInChI=1S/C14H23N/c1-6-14(12(4)9-11(2)3)13-7-8-15(5)10-13/h6-7,11H,1,8-10H2,2-5H3/b14-12-
InChIKeyYPHQEOWCSANBCG-OWBHPGMISA-N
MW205.34 g/mol
LogP3.41
Rot. Bonds4

About 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole

3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole (PubChem CID 129238767) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole
PubChem CID129238767
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole
SMILESC=C/C(C1=CCN(C)C1)=C(\C)CC(C)C
InChIInChI=1S/C14H23N/c1-6-14(12(4)9-11(2)3)13-7-8-15(5)10-13/h6-7,11H,1,8-10H2,2-5H3/b14-12-
InChIKeyYPHQEOWCSANBCG-OWBHPGMISA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.41
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 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole (CID 129238767) is 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole is C=C/C(C1=CCN(C)C1)=C(\C)CC(C)C.
What is the InChIKey of 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole?
The InChIKey is YPHQEOWCSANBCG-OWBHPGMISA-N. The full InChI is InChI=1S/C14H23N/c1-6-14(12(4)9-11(2)3)13-7-8-15(5)10-13/h6-7,11H,1,8-10H2,2-5H3/b14-12-.
What are the key properties of 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole?
3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole has a molecular weight of 205.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-4,6-dimethylhepta-1,3-dien-3-yl]-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 129238767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).