(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one

C10H19NO2 — CID 143325570

IUPAC(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one
SMILESC/C=C(\O)C(N)C(CCC)C(C)=O
InChIInChI=1S/C10H19NO2/c1-4-6-8(7(3)12)10(11)9(13)5-2/h5,8,10,13H,4,6,11H2,1-3H3/b9-5-
InChIKeyYGMPBZJWTTZAAX-UITAMQMPSA-N
MW185.27 g/mol
LogP1.78
Rot. Bonds5

About (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one

(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one (PubChem CID 143325570) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one
PubChem CID143325570
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one
SMILESC/C=C(\O)C(N)C(CCC)C(C)=O
InChIInChI=1S/C10H19NO2/c1-4-6-8(7(3)12)10(11)9(13)5-2/h5,8,10,13H,4,6,11H2,1-3H3/b9-5-
InChIKeyYGMPBZJWTTZAAX-UITAMQMPSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one?
The IUPAC name of (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one (CID 143325570) is (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one.
What is the SMILES notation for (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one?
The canonical SMILES for (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one is C/C=C(\O)C(N)C(CCC)C(C)=O.
What is the InChIKey of (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one?
The InChIKey is YGMPBZJWTTZAAX-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-8(7(3)12)10(11)9(13)5-2/h5,8,10,13H,4,6,11H2,1-3H3/b9-5-.
What are the key properties of (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one?
(Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5-hydroxy-3-propylhept-5-en-2-one is sourced from PubChem (CID 143325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).