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

C9H14N2 — CID 89012401

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine
SMILESC=C/C=C\C1=C(N)CCN1C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-8(10)6-7-11(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-
InChIKeyOVXXCBFYVSKXSP-PLNGDYQASA-N
MW150.22 g/mol
LogP1.23
Rot. Bonds2

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

5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine (PubChem CID 89012401) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine
PubChem CID89012401
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine
SMILESC=C/C=C\C1=C(N)CCN1C
InChIInChI=1S/C9H14N2/c1-3-4-5-9-8(10)6-7-11(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-
InChIKeyOVXXCBFYVSKXSP-PLNGDYQASA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.23
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 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine (CID 89012401) is 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine is C=C/C=C\C1=C(N)CCN1C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine?
The InChIKey is OVXXCBFYVSKXSP-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-9-8(10)6-7-11(9)2/h3-5H,1,6-7,10H2,2H3/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine?
5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine has a molecular weight of 150.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1-methyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 89012401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).