4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole

C9H13N — CID 139296202

IUPAC4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESC=CC1C=NCC1/C=C\C
InChIInChI=1S/C9H13N/c1-3-5-9-7-10-6-8(9)4-2/h3-6,8-9H,2,7H2,1H3/b5-3-
InChIKeyTYHITEZCQAZONB-HYXAFXHYSA-N
MW135.21 g/mol
LogP2.07
Rot. Bonds2

About 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole

4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 139296202) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID139296202
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESC=CC1C=NCC1/C=C\C
InChIInChI=1S/C9H13N/c1-3-5-9-7-10-6-8(9)4-2/h3-6,8-9H,2,7H2,1H3/b5-3-
InChIKeyTYHITEZCQAZONB-HYXAFXHYSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole (CID 139296202) is 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole is C=CC1C=NCC1/C=C\C.
What is the InChIKey of 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is TYHITEZCQAZONB-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-9-7-10-6-8(9)4-2/h3-6,8-9H,2,7H2,1H3/b5-3-.
What are the key properties of 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole?
4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 139296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).