1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

C9H13NO — CID 143469017

IUPAC1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(C)N(C)C(=O)C1
InChIInChI=1S/C9H13NO/c1-4-5-8-6-9(11)10(3)7(8)2/h4-5H,6H2,1-3H3/b5-4-
InChIKeyMRJOATBXMZPYOH-PLNGDYQASA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds1

About 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 143469017) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID143469017
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(C)N(C)C(=O)C1
InChIInChI=1S/C9H13NO/c1-4-5-8-6-9(11)10(3)7(8)2/h4-5H,6H2,1-3H3/b5-4-
InChIKeyMRJOATBXMZPYOH-PLNGDYQASA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 143469017) is 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C/C=C\C1=C(C)N(C)C(=O)C1.
What is the InChIKey of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is MRJOATBXMZPYOH-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-8-6-9(11)10(3)7(8)2/h4-5H,6H2,1-3H3/b5-4-.
What are the key properties of 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 143469017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).