carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium

C13H16O2Y-2 — CID 58731460

IUPACcarbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
SMILESC=CC(=O)OCCc1ccc([CH2-])cc1.[CH3-].[Y]
InChIInChI=1S/C12H13O2.CH3.Y/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;;/h3-7H,1-2,8-9H2;1H3;/q2*-1;
InChIKeyUXRBQNJUZDTEDN-UHFFFAOYSA-N
MW293.18 g/mol
LogP2.59
Rot. Bonds4

About carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium

carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium (PubChem CID 58731460) has the molecular formula C13H16O2Y-2 and a molecular weight of 293.18 g/mol. Its IUPAC name is carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium.

Molecular Properties

Compound Namecarbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
PubChem CID58731460
Molecular FormulaC13H16O2Y-2
Molecular Weight293.18 g/mol
Exact Mass293.02
IUPAC Namecarbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
SMILESC=CC(=O)OCCc1ccc([CH2-])cc1.[CH3-].[Y]
InChIInChI=1S/C12H13O2.CH3.Y/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;;/h3-7H,1-2,8-9H2;1H3;/q2*-1;
InChIKeyUXRBQNJUZDTEDN-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium?
The IUPAC name of carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium (CID 58731460) is carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium.
What is the SMILES notation for carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium?
The canonical SMILES for carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium is C=CC(=O)OCCc1ccc([CH2-])cc1.[CH3-].[Y].
What is the InChIKey of carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium?
The InChIKey is UXRBQNJUZDTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.CH3.Y/c1-3-12(13)14-9-8-11-6-4-10(2)5-7-11;;/h3-7H,1-2,8-9H2;1H3;/q2*-1;.
What are the key properties of carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium?
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium has a molecular weight of 293.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium is sourced from PubChem (CID 58731460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).