(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile

C8H14N2O2 — CID 130238969

IUPAC(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile
SMILESCOC(C/C(C)=C(\N)C#N)OC
InChIInChI=1S/C8H14N2O2/c1-6(7(10)5-9)4-8(11-2)12-3/h8H,4,10H2,1-3H3/b7-6-
InChIKeyZRQBDDGESLWCMK-SREVYHEPSA-N
MW170.21 g/mol
LogP0.75
Rot. Bonds4

About (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile

(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile (PubChem CID 130238969) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile
PubChem CID130238969
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile
SMILESCOC(C/C(C)=C(\N)C#N)OC
InChIInChI=1S/C8H14N2O2/c1-6(7(10)5-9)4-8(11-2)12-3/h8H,4,10H2,1-3H3/b7-6-
InChIKeyZRQBDDGESLWCMK-SREVYHEPSA-N
XLogP0.75
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1-dimethoxy-3,4-dimethylhex-3-ene
CID 10583333
(Z)-5,5-dimethoxy-3-methylpent-2-enenitrile
CID 101226032
5,5-dimethoxypentane-2,3-dione
CID 104539617
CID 172716670
CID 172716670
2-(hydroxymethylidene)-4,4-dimethoxybutanamide
CID 142475817
1-[(E)-1-iodo-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol
CID 11057339
(Z)-4-aminopent-3-enenitrile
CID 55289579
2-(2,2-dimethoxyethyl)propanedinitrile
CID 11008134
ethyl (E)-3-amino-3-cyano-2-methoxyprop-2-enoate
CID 163674717
N'-[(E)-2-amino-1,2-dicyanoethenyl]-3-methylbutanimidamide;hydrochloride
CID 142655276
2-[amino(methoxy)methylidene]propanedinitrile
CID 3661155
(4S)-4-hydroxy-5,5-dimethoxy-2-methylidenepentanenitrile
CID 11423836

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile?
The IUPAC name of (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile (CID 130238969) is (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile?
The canonical SMILES for (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile is COC(C/C(C)=C(\N)C#N)OC.
What is the InChIKey of (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile?
The InChIKey is ZRQBDDGESLWCMK-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(7(10)5-9)4-8(11-2)12-3/h8H,4,10H2,1-3H3/b7-6-.
What are the key properties of (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile?
(Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile has a molecular weight of 170.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-5,5-dimethoxy-3-methylpent-2-enenitrile is sourced from PubChem (CID 130238969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).