1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole

C14H23N — CID 167251723

IUPAC1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole
SMILESC/C=C\C=C/C1=C(C)C(C(C)C)CN1C
InChIInChI=1S/C14H23N/c1-6-7-8-9-14-12(4)13(11(2)3)10-15(14)5/h6-9,11,13H,10H2,1-5H3/b7-6-,9-8-
InChIKeyHFGGZWHSYCERAJ-JPDBVBESSA-N
MW205.34 g/mol
LogP3.61
Rot. Bonds3

About 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole

1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole (PubChem CID 167251723) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole
PubChem CID167251723
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole
SMILESC/C=C\C=C/C1=C(C)C(C(C)C)CN1C
InChIInChI=1S/C14H23N/c1-6-7-8-9-14-12(4)13(11(2)3)10-15(14)5/h6-9,11,13H,10H2,1-5H3/b7-6-,9-8-
InChIKeyHFGGZWHSYCERAJ-JPDBVBESSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.61
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 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole (CID 167251723) is 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole is C/C=C\C=C/C1=C(C)C(C(C)C)CN1C.
What is the InChIKey of 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is HFGGZWHSYCERAJ-JPDBVBESSA-N. The full InChI is InChI=1S/C14H23N/c1-6-7-8-9-14-12(4)13(11(2)3)10-15(14)5/h6-9,11,13H,10H2,1-5H3/b7-6-,9-8-.
What are the key properties of 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole?
1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 205.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 167251723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).