(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine

C11H14N2 — CID 154961843

IUPAC(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine
SMILESC=CC(=C\C)/C(C)=C1\C=CN=C1N
InChIInChI=1S/C11H14N2/c1-4-9(5-2)8(3)10-6-7-13-11(10)12/h4-7H,1H2,2-3H3,(H2,12,13)/b9-5+,10-8+
InChIKeyKJGXBXCHGNMMLF-MUDDOMJDSA-N
MW174.25 g/mol
LogP2.32
Rot. Bonds2

About (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine

(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine (PubChem CID 154961843) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine.

Molecular Properties

Compound Name(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine
PubChem CID154961843
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine
SMILESC=CC(=C\C)/C(C)=C1\C=CN=C1N
InChIInChI=1S/C11H14N2/c1-4-9(5-2)8(3)10-6-7-13-11(10)12/h4-7H,1H2,2-3H3,(H2,12,13)/b9-5+,10-8+
InChIKeyKJGXBXCHGNMMLF-MUDDOMJDSA-N
XLogP2.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.32
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 (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine?
The IUPAC name of (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine (CID 154961843) is (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine.
What is the SMILES notation for (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine?
The canonical SMILES for (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine is C=CC(=C\C)/C(C)=C1\C=CN=C1N.
What is the InChIKey of (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine?
The InChIKey is KJGXBXCHGNMMLF-MUDDOMJDSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-9(5-2)8(3)10-6-7-13-11(10)12/h4-7H,1H2,2-3H3,(H2,12,13)/b9-5+,10-8+.
What are the key properties of (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine?
(3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-ethenylpent-3-en-2-ylidene]pyrrol-2-amine is sourced from PubChem (CID 154961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).