2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide

C11H18N2O — CID 89024054

IUPAC2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide
SMILESC[C@@H]1C=CC=C(NC(=O)CN(C)C)C1
InChIInChI=1S/C11H18N2O/c1-9-5-4-6-10(7-9)12-11(14)8-13(2)3/h4-6,9H,7-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyYDERTWRSFPOTMD-SECBINFHSA-N
MW194.28 g/mol
LogP1.14
Rot. Bonds3

About 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide

2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 89024054) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide
PubChem CID89024054
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide
SMILESC[C@@H]1C=CC=C(NC(=O)CN(C)C)C1
InChIInChI=1S/C11H18N2O/c1-9-5-4-6-10(7-9)12-11(14)8-13(2)3/h4-6,9H,7-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyYDERTWRSFPOTMD-SECBINFHSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide (CID 89024054) is 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide is C[C@@H]1C=CC=C(NC(=O)CN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is YDERTWRSFPOTMD-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-5-4-6-10(7-9)12-11(14)8-13(2)3/h4-6,9H,7-8H2,1-3H3,(H,12,14)/t9-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide?
2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 194.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 89024054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).