N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide

C12H17NO — CID 67558352

IUPACN-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)=C1C=CC=C1
InChIInChI=1S/C12H17NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyYLOJUKIGVPZEJC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.55
Rot. Bonds1

About N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide (PubChem CID 67558352) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
PubChem CID67558352
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)=C1C=CC=C1
InChIInChI=1S/C12H17NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKeyYLOJUKIGVPZEJC-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide (CID 67558352) is N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)=C1C=CC=C1.
What is the InChIKey of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide?
The InChIKey is YLOJUKIGVPZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14).
What are the key properties of N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide?
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide has a molecular weight of 191.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 67558352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).