[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium

C9H13NO2Y — CID 154661209

IUPAC[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
SMILESC=C/C=C(\C=C)CCNC(=O)O.[Y]
InChIInChI=1S/C9H13NO2.Y/c1-3-5-8(4-2)6-7-10-9(11)12;/h3-5,10H,1-2,6-7H2,(H,11,12);/b8-5+;
InChIKeyKVSNYTCWDJIGRW-HAAWTFQLSA-N
MW256.11 g/mol
LogP1.94
Rot. Bonds5

About [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium

[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium (PubChem CID 154661209) has the molecular formula C9H13NO2Y and a molecular weight of 256.11 g/mol. Its IUPAC name is [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium.

Molecular Properties

Compound Name[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
PubChem CID154661209
Molecular FormulaC9H13NO2Y
Molecular Weight256.11 g/mol
Exact Mass256.00
IUPAC Name[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
SMILESC=C/C=C(\C=C)CCNC(=O)O.[Y]
InChIInChI=1S/C9H13NO2.Y/c1-3-5-8(4-2)6-7-10-9(11)12;/h3-5,10H,1-2,6-7H2,(H,11,12);/b8-5+;
InChIKeyKVSNYTCWDJIGRW-HAAWTFQLSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
tert-butyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate;ethane
CID 177159912
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
CID 142018019
1-(2-cyclohexa-1,5-dien-1-ylethyl)-3-[(3Z)-3-ethenylhexa-3,5-dienyl]urea;ethane;methanamine
CID 144937648
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
aminomethanone;(4Z)-4-ethenylhepta-4,6-dienoic acid;fermium
CID 165115773
(E)-N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2-(octanoylamino)but-2-enediamide
CID 162387534
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium?
The IUPAC name of [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium (CID 154661209) is [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium.
What is the SMILES notation for [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium?
The canonical SMILES for [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium is C=C/C=C(\C=C)CCNC(=O)O.[Y].
What is the InChIKey of [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium?
The InChIKey is KVSNYTCWDJIGRW-HAAWTFQLSA-N. The full InChI is InChI=1S/C9H13NO2.Y/c1-3-5-8(4-2)6-7-10-9(11)12;/h3-5,10H,1-2,6-7H2,(H,11,12);/b8-5+;.
What are the key properties of [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium?
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium has a molecular weight of 256.11 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium is sourced from PubChem (CID 154661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).