1-carboxyprop-1-enoxysilylidene(imino)azanium

C4H7N2O3Si+ — CID 173350488

IUPAC1-carboxyprop-1-enoxysilylidene(imino)azanium
SMILESCC=C(O[SiH]=[N+]=N)C(=O)O
InChIInChI=1S/C4H6N2O3Si/c1-2-3(4(7)8)9-10-6-5/h2,5,10H,1H3/p+1
InChIKeyFUEYBFFLNRMPNQ-UHFFFAOYSA-O
MW159.20 g/mol
LogP-0.38
Rot. Bonds3

About 1-carboxyprop-1-enoxysilylidene(imino)azanium

1-carboxyprop-1-enoxysilylidene(imino)azanium (PubChem CID 173350488) has the molecular formula C4H7N2O3Si+ and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-carboxyprop-1-enoxysilylidene(imino)azanium.

Molecular Properties

Compound Name1-carboxyprop-1-enoxysilylidene(imino)azanium
PubChem CID173350488
Molecular FormulaC4H7N2O3Si+
Molecular Weight159.20 g/mol
Exact Mass159.02
IUPAC Name1-carboxyprop-1-enoxysilylidene(imino)azanium
SMILESCC=C(O[SiH]=[N+]=N)C(=O)O
InChIInChI=1S/C4H6N2O3Si/c1-2-3(4(7)8)9-10-6-5/h2,5,10H,1H3/p+1
InChIKeyFUEYBFFLNRMPNQ-UHFFFAOYSA-O
XLogP-0.38
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
(E)-2-phosphonooxybut-2-enoic acid
CID 59863751
2-prop-2-enoxybut-2-enoic acid
CID 74409051
(Z)-2-prop-2-enoxybut-2-enoic acid
CID 25228924
2-butoxybut-2-enoic acid
CID 174830765
(E)-2-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxy]but-2-enoic acid
CID 139906485
CID 10274606
CID 10274606
sodium;(Z)-2,3-dimethylbut-2-enedioic acid;hydride
CID 175588554
2-ethylidenepropanedioic acid
CID 15930801
2-[4-(trifluoromethyl)phenoxy]but-2-enoic acid
CID 154384674
(2E)-2,3,4-trimethylhexa-2,4-dienoic acid
CID 59888264
2-ethoxy-3-hydroxyprop-2-enoic acid
CID 150966454

Frequently Asked Questions

What is the IUPAC name of 1-carboxyprop-1-enoxysilylidene(imino)azanium?
The IUPAC name of 1-carboxyprop-1-enoxysilylidene(imino)azanium (CID 173350488) is 1-carboxyprop-1-enoxysilylidene(imino)azanium.
What is the SMILES notation for 1-carboxyprop-1-enoxysilylidene(imino)azanium?
The canonical SMILES for 1-carboxyprop-1-enoxysilylidene(imino)azanium is CC=C(O[SiH]=[N+]=N)C(=O)O.
What is the InChIKey of 1-carboxyprop-1-enoxysilylidene(imino)azanium?
The InChIKey is FUEYBFFLNRMPNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2O3Si/c1-2-3(4(7)8)9-10-6-5/h2,5,10H,1H3/p+1.
What are the key properties of 1-carboxyprop-1-enoxysilylidene(imino)azanium?
1-carboxyprop-1-enoxysilylidene(imino)azanium has a molecular weight of 159.20 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carboxyprop-1-enoxysilylidene(imino)azanium is sourced from PubChem (CID 173350488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).