3-(oxolan-2-ylmethyl)hexa-2,5-dienamide

C11H17NO2 — CID 90119998

IUPAC3-(oxolan-2-ylmethyl)hexa-2,5-dienamide
SMILESC=CCC(=CC(N)=O)CC1CCCO1
InChIInChI=1S/C11H17NO2/c1-2-4-9(8-11(12)13)7-10-5-3-6-14-10/h2,8,10H,1,3-7H2,(H2,12,13)
InChIKeyYRDBWFZTYMDCCO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.54
Rot. Bonds5

About 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide

3-(oxolan-2-ylmethyl)hexa-2,5-dienamide (PubChem CID 90119998) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)hexa-2,5-dienamide
PubChem CID90119998
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(oxolan-2-ylmethyl)hexa-2,5-dienamide
SMILESC=CCC(=CC(N)=O)CC1CCCO1
InChIInChI=1S/C11H17NO2/c1-2-4-9(8-11(12)13)7-10-5-3-6-14-10/h2,8,10H,1,3-7H2,(H2,12,13)
InChIKeyYRDBWFZTYMDCCO-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
2-(oxolan-2-ylmethyl)prop-2-en-1-ol
CID 117266681
oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
CID 79277559
[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
(2R)-2-(2-fluoroprop-2-enyl)oxolane
CID 163469182

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide?
The IUPAC name of 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide (CID 90119998) is 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide?
The canonical SMILES for 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide is C=CCC(=CC(N)=O)CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide?
The InChIKey is YRDBWFZTYMDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-4-9(8-11(12)13)7-10-5-3-6-14-10/h2,8,10H,1,3-7H2,(H2,12,13).
What are the key properties of 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide?
3-(oxolan-2-ylmethyl)hexa-2,5-dienamide has a molecular weight of 195.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)hexa-2,5-dienamide is sourced from PubChem (CID 90119998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).