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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Related Compounds

acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469016
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043
2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene
CID 161093530
5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one
CID 139354471
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040
4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one
CID 143469083
4-methyl-5-prop-1-enyl-1,2,3,6-tetrahydropyridine
CID 123515438
4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 143991257
ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 142600010
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
1,2-dimethylpyrazolidine-3,5-dione
CID 12706755

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).