4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione

C8H9NO2 — CID 145410963

IUPAC4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione
SMILESC/C=C\C1=C(N)C(=O)CC1=O
InChIInChI=1S/C8H9NO2/c1-2-3-5-6(10)4-7(11)8(5)9/h2-3H,4,9H2,1H3/b3-2-
InChIKeyGPMPRCZIJBUTLX-IHWYPQMZSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds1

About 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione

4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione (PubChem CID 145410963) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione
PubChem CID145410963
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione
SMILESC/C=C\C1=C(N)C(=O)CC1=O
InChIInChI=1S/C8H9NO2/c1-2-3-5-6(10)4-7(11)8(5)9/h2-3H,4,9H2,1H3/b3-2-
InChIKeyGPMPRCZIJBUTLX-IHWYPQMZSA-N
XLogP0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-prop-1-enylcyclohex-2-en-1-one
CID 123373208
1-methoxy-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 137491853
4,5-bis[(Z)-prop-1-enyl]-1,3-dihydropyrrol-2-one
CID 129180583
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
3-[(E,3S)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 169491582
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2H-furan-5-one
CID 145190678
1-ethyl-3-methyl-4-prop-1-enyl-2H-pyrrol-5-one
CID 91192973
2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 22966629
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469017
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
CID 164598410

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione (CID 145410963) is 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione is C/C=C\C1=C(N)C(=O)CC1=O.
What is the InChIKey of 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione?
The InChIKey is GPMPRCZIJBUTLX-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-3-5-6(10)4-7(11)8(5)9/h2-3H,4,9H2,1H3/b3-2-.
What are the key properties of 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione?
4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione has a molecular weight of 151.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(Z)-prop-1-enyl]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 145410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).