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

C10H11NO — CID 169200071

IUPAC4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
SMILESC=Cc1c(C=O)c[nH]c1/C=C\C
InChIInChI=1S/C10H11NO/c1-3-5-10-9(4-2)8(7-12)6-11-10/h3-7,11H,2H2,1H3/b5-3-
InChIKeyDKJNTRYIPGKMAA-HYXAFXHYSA-N
MW161.20 g/mol
LogP2.50
Rot. Bonds3

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

4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde (PubChem CID 169200071) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
PubChem CID169200071
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
SMILESC=Cc1c(C=O)c[nH]c1/C=C\C
InChIInChI=1S/C10H11NO/c1-3-5-10-9(4-2)8(7-12)6-11-10/h3-7,11H,2H2,1H3/b5-3-
InChIKeyDKJNTRYIPGKMAA-HYXAFXHYSA-N
XLogP2.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 142428600
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrole-3-carbaldehyde
CID 155123004
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
CID 138612930
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
CID 145421398
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 143270524
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
CID 143407181
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde (CID 169200071) is 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde is C=Cc1c(C=O)c[nH]c1/C=C\C.
What is the InChIKey of 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
The InChIKey is DKJNTRYIPGKMAA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-5-10-9(4-2)8(7-12)6-11-10/h3-7,11H,2H2,1H3/b5-3-.
What are the key properties of 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde?
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 169200071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).