N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide

C11H17NO — CID 138460947

IUPACN-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1=CC=CC1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)12(4)9-7-5-6-8-9/h5-7H,8H2,1-4H3
InChIKeyUFUFYESATZOLRC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.33
Rot. Bonds1

About N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide

N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide (PubChem CID 138460947) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide
PubChem CID138460947
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1=CC=CC1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)12(4)9-7-5-6-8-9/h5-7H,8H2,1-4H3
InChIKeyUFUFYESATZOLRC-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclopenta-1,3-dien-1-yl(methyl)amino]-2-propan-2-yliminoacetic acid
CID 68541550
N,N-di(cyclopenta-1,3-dien-1-yl)-2-methylprop-2-enamide
CID 67022967
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
N-cyclohepta-1,3,5-trien-1-yl-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 163424850
CID 87795640
CID 87795640
N,N-di(cyclopenta-1,3-dien-1-yl)formamide
CID 22486733
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
CID 13380462
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606
3-amino-4-[2,2-dimethylpropanoyl(methyl)amino]benzoic acid
CID 63117218
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 113094478
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 11233560

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide (CID 138460947) is N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide?
The InChIKey is UFUFYESATZOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)10(13)12(4)9-7-5-6-8-9/h5-7H,8H2,1-4H3.
What are the key properties of N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide?
N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-yl-N,2,2-trimethylpropanamide is sourced from PubChem (CID 138460947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).