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

C11H15NO — CID 143469016

IUPACacetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC#C.C/C=C\C1=C(C)N(C)C(=O)C1
InChIInChI=1S/C9H13NO.C2H2/c1-4-5-8-6-9(11)10(3)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H/b5-4-;
InChIKeyARADGATZGNTNCK-MKWAYWHRSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds1

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

acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 143469016) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Nameacetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID143469016
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameacetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC#C.C/C=C\C1=C(C)N(C)C(=O)C1
InChIInChI=1S/C9H13NO.C2H2/c1-4-5-8-6-9(11)10(3)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H/b5-4-;
InChIKeyARADGATZGNTNCK-MKWAYWHRSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469017
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 acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 143469016) is acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C#C.C/C=C\C1=C(C)N(C)C(=O)C1.
What is the InChIKey of acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is ARADGATZGNTNCK-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H13NO.C2H2/c1-4-5-8-6-9(11)10(3)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H/b5-4-;.
What are the key properties of acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 143469016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).