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

C7H15NO — CID 143495153

IUPAC(Z)-1-aminopent-3-en-2-one;ethane
SMILESC/C=C\C(=O)CN.CC
InChIInChI=1S/C5H9NO.C2H6/c1-2-3-5(7)4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2-;
InChIKeyPBDCAYXHFQFJKN-OLGQORCHSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds2

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

(Z)-1-aminopent-3-en-2-one;ethane (PubChem CID 143495153) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-1-aminopent-3-en-2-one;ethane.

Molecular Properties

Compound Name(Z)-1-aminopent-3-en-2-one;ethane
PubChem CID143495153
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-1-aminopent-3-en-2-one;ethane
SMILESC/C=C\C(=O)CN.CC
InChIInChI=1S/C5H9NO.C2H6/c1-2-3-5(7)4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2-;
InChIKeyPBDCAYXHFQFJKN-OLGQORCHSA-N
XLogP1.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
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

(Z)-1-aminopent-3-en-2-one
CID 143495154
1-aminopent-3-en-2-one;tetrahydrofluoride
CID 173491029
(E)-5-amino-4-oxopent-2-enoic acid
CID 23437125
(E)-but-2-enamide;ethane
CID 145356551
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
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133

Frequently Asked Questions

What is the IUPAC name of (Z)-1-aminopent-3-en-2-one;ethane?
The IUPAC name of (Z)-1-aminopent-3-en-2-one;ethane (CID 143495153) is (Z)-1-aminopent-3-en-2-one;ethane.
What is the SMILES notation for (Z)-1-aminopent-3-en-2-one;ethane?
The canonical SMILES for (Z)-1-aminopent-3-en-2-one;ethane is C/C=C\C(=O)CN.CC.
What is the InChIKey of (Z)-1-aminopent-3-en-2-one;ethane?
The InChIKey is PBDCAYXHFQFJKN-OLGQORCHSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-2-3-5(7)4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2-;.
What are the key properties of (Z)-1-aminopent-3-en-2-one;ethane?
(Z)-1-aminopent-3-en-2-one;ethane has a molecular weight of 129.20 g/mol, XLogP of 1.12, 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;ethane is sourced from PubChem (CID 143495153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).