N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide

C11H15NO — CID 89174448

IUPACN-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]1C1C=CC=CC1
InChIInChI=1S/C11H15NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3,(H,12,13)/t9?,10-,11+/m1/s1
InChIKeyDSRFKISJSQAJQL-ZOCYIJKUSA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds2

About N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide

N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide (PubChem CID 89174448) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide
PubChem CID89174448
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]1C1C=CC=CC1
InChIInChI=1S/C11H15NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3,(H,12,13)/t9?,10-,11+/m1/s1
InChIKeyDSRFKISJSQAJQL-ZOCYIJKUSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide (CID 89174448) is N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide is CC(=O)N[C@H]1C[C@@H]1C1C=CC=CC1.
What is the InChIKey of N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide?
The InChIKey is DSRFKISJSQAJQL-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(13)12-11-7-10(11)9-5-3-2-4-6-9/h2-5,9-11H,6-7H2,1H3,(H,12,13)/t9?,10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide?
N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide has a molecular weight of 177.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]acetamide is sourced from PubChem (CID 89174448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).