(Z)-1-aminopent-3-en-2-one

C5H9NO — CID 143495154

IUPAC(Z)-1-aminopent-3-en-2-one
SMILESC/C=C\C(=O)CN
InChIInChI=1S/C5H9NO/c1-2-3-5(7)4-6/h2-3H,4,6H2,1H3/b3-2-
InChIKeyKHFSWAGCDNRSTC-IHWYPQMZSA-N
MW99.13 g/mol
LogP0.09
Rot. Bonds2

About (Z)-1-aminopent-3-en-2-one

(Z)-1-aminopent-3-en-2-one (PubChem CID 143495154) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (Z)-1-aminopent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1-aminopent-3-en-2-one
PubChem CID143495154
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(Z)-1-aminopent-3-en-2-one
SMILESC/C=C\C(=O)CN
InChIInChI=1S/C5H9NO/c1-2-3-5(7)4-6/h2-3H,4,6H2,1H3/b3-2-
InChIKeyKHFSWAGCDNRSTC-IHWYPQMZSA-N
XLogP0.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-aminopent-3-en-2-one;tetrahydrofluoride
CID 173491029
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
(E)-5-amino-4-oxopent-2-enoic acid
CID 23437125
6-methylhept-2-en-4-one
CID 54395514
(E)-4-oxohept-5-enoic acid
CID 58441679
hepta-2,5-dien-4-one
CID 54179619
(E)-1-dimethylphosphorylpent-3-en-2-one
CID 89316968
oct-6-ene-3,5-dione
CID 54438744
methane;(E)-oct-6-ene-2,5-dione
CID 159043306
hex-4-en-3-one;methane;pentan-3-one
CID 160932179
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
(E,2S)-2-amino-2-methyl-4-oxohept-5-enoic acid
CID 175904609

Frequently Asked Questions

What is the IUPAC name of (Z)-1-aminopent-3-en-2-one?
The IUPAC name of (Z)-1-aminopent-3-en-2-one (CID 143495154) is (Z)-1-aminopent-3-en-2-one.
What is the SMILES notation for (Z)-1-aminopent-3-en-2-one?
The canonical SMILES for (Z)-1-aminopent-3-en-2-one is C/C=C\C(=O)CN.
What is the InChIKey of (Z)-1-aminopent-3-en-2-one?
The InChIKey is KHFSWAGCDNRSTC-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-5(7)4-6/h2-3H,4,6H2,1H3/b3-2-.
What are the key properties of (Z)-1-aminopent-3-en-2-one?
(Z)-1-aminopent-3-en-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-aminopent-3-en-2-one is sourced from PubChem (CID 143495154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).