N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide

C12H17NO3 — CID 123920467

IUPACN-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide
SMILESC=C1C(=C)C(O)C(O)C=C1CCNC(C)=O
InChIInChI=1S/C12H17NO3/c1-7-8(2)12(16)11(15)6-10(7)4-5-13-9(3)14/h6,11-12,15-16H,1-2,4-5H2,3H3,(H,13,14)
InChIKeyRLNWVKKBIJNGIU-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.29
Rot. Bonds3

About N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide

N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide (PubChem CID 123920467) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide
PubChem CID123920467
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide
SMILESC=C1C(=C)C(O)C(O)C=C1CCNC(C)=O
InChIInChI=1S/C12H17NO3/c1-7-8(2)12(16)11(15)6-10(7)4-5-13-9(3)14/h6,11-12,15-16H,1-2,4-5H2,3H3,(H,13,14)
InChIKeyRLNWVKKBIJNGIU-UHFFFAOYSA-N
XLogP0.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide (CID 123920467) is N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide is C=C1C(=C)C(O)C(O)C=C1CCNC(C)=O.
What is the InChIKey of N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide?
The InChIKey is RLNWVKKBIJNGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-8(2)12(16)11(15)6-10(7)4-5-13-9(3)14/h6,11-12,15-16H,1-2,4-5H2,3H3,(H,13,14).
What are the key properties of N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide?
N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxy-5,6-dimethylidenecyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 123920467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).