1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine

C10H16N2 — CID 130347219

IUPAC1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
SMILESC/C=C\C=C/C1=C(N)N(C)CC1
InChIInChI=1S/C10H16N2/c1-3-4-5-6-9-7-8-12(2)10(9)11/h3-6H,7-8,11H2,1-2H3/b4-3-,6-5-
InChIKeyKLAKKTXVUJLBQO-OUPQRBNQSA-N
MW164.25 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine

1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine (PubChem CID 130347219) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
PubChem CID130347219
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
SMILESC/C=C\C=C/C1=C(N)N(C)CC1
InChIInChI=1S/C10H16N2/c1-3-4-5-6-9-7-8-12(2)10(9)11/h3-6H,7-8,11H2,1-2H3/b4-3-,6-5-
InChIKeyKLAKKTXVUJLBQO-OUPQRBNQSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine?
The IUPAC name of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine (CID 130347219) is 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine.
What is the SMILES notation for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine?
The canonical SMILES for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine is C/C=C\C=C/C1=C(N)N(C)CC1.
What is the InChIKey of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine?
The InChIKey is KLAKKTXVUJLBQO-OUPQRBNQSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-6-9-7-8-12(2)10(9)11/h3-6H,7-8,11H2,1-2H3/b4-3-,6-5-.
What are the key properties of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine?
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine has a molecular weight of 164.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine is sourced from PubChem (CID 130347219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).