4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde

C11H13NO — CID 142428600

IUPAC4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
SMILESC/C=C\c1[nH]cc(C=O)c1/C=C\C
InChIInChI=1S/C11H13NO/c1-3-5-10-9(8-13)7-12-11(10)6-4-2/h3-8,12H,1-2H3/b5-3-,6-4-
InChIKeyZXDDPVXEHKYKNZ-GLIMQPGKSA-N
MW175.23 g/mol
LogP2.89
Rot. Bonds3

About 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde

4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde (PubChem CID 142428600) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
PubChem CID142428600
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
SMILESC/C=C\c1[nH]cc(C=O)c1/C=C\C
InChIInChI=1S/C11H13NO/c1-3-5-10-9(8-13)7-12-11(10)6-4-2/h3-8,12H,1-2H3/b5-3-,6-4-
InChIKeyZXDDPVXEHKYKNZ-GLIMQPGKSA-N
XLogP2.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde (CID 142428600) is 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde is C/C=C\c1[nH]cc(C=O)c1/C=C\C.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The InChIKey is ZXDDPVXEHKYKNZ-GLIMQPGKSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-5-10-9(8-13)7-12-11(10)6-4-2/h3-8,12H,1-2H3/b5-3-,6-4-.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 142428600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).