(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione

C10H18N2O2 — CID 166997414

IUPAC(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
SMILESCC(=O)[C@@H](N)C/C=C\C[C@H](N)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h3-4,9-10H,5-6,11-12H2,1-2H3/b4-3-/t9-,10-/m0/s1
InChIKeyDLGYWIGFKVCJPA-CMIOBCHKSA-N
MW198.27 g/mol
LogP0.16
Rot. Bonds6

About (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione

(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione (PubChem CID 166997414) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione.

Molecular Properties

Compound Name(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
PubChem CID166997414
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
SMILESCC(=O)[C@@H](N)C/C=C\C[C@H](N)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h3-4,9-10H,5-6,11-12H2,1-2H3/b4-3-/t9-,10-/m0/s1
InChIKeyDLGYWIGFKVCJPA-CMIOBCHKSA-N
XLogP0.16
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
3-amino-5,5-dihydroxypentan-2-one
CID 20668323
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059

Frequently Asked Questions

What is the IUPAC name of (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione?
The IUPAC name of (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione (CID 166997414) is (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione.
What is the SMILES notation for (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione?
The canonical SMILES for (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione is CC(=O)[C@@H](N)C/C=C\C[C@H](N)C(C)=O.
What is the InChIKey of (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione?
The InChIKey is DLGYWIGFKVCJPA-CMIOBCHKSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)9(11)5-3-4-6-10(12)8(2)14/h3-4,9-10H,5-6,11-12H2,1-2H3/b4-3-/t9-,10-/m0/s1.
What are the key properties of (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione?
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione has a molecular weight of 198.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione is sourced from PubChem (CID 166997414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).