3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

C10H13NO — CID 135216992

IUPAC3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILESC/C=C\C1=C(/C=C\C)C(=O)NC1
InChIInChI=1S/C10H13NO/c1-3-5-8-7-11-10(12)9(8)6-4-2/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,6-4-
InChIKeyBSNUAIOHXHSCGG-GLIMQPGKSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds2

About 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (PubChem CID 135216992) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
PubChem CID135216992
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILESC/C=C\C1=C(/C=C\C)C(=O)NC1
InChIInChI=1S/C10H13NO/c1-3-5-8-7-11-10(12)9(8)6-4-2/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,6-4-
InChIKeyBSNUAIOHXHSCGG-GLIMQPGKSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (CID 135216992) is 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is C/C=C\C1=C(/C=C\C)C(=O)NC1.
What is the InChIKey of 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The InChIKey is BSNUAIOHXHSCGG-GLIMQPGKSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-8-7-11-10(12)9(8)6-4-2/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,6-4-.
What are the key properties of 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one has a molecular weight of 163.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135216992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).