N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide

C15H25NO — CID 89467513

IUPACN-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCC(CCC)NC(=O)C1=CC(C)=C(C)C1
InChIInChI=1S/C15H25NO/c1-5-7-14(8-6-2)16-15(17)13-9-11(3)12(4)10-13/h9,14H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyPAZCCQUQKFPDFV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds6

About N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide

N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 89467513) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide
PubChem CID89467513
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCC(CCC)NC(=O)C1=CC(C)=C(C)C1
InChIInChI=1S/C15H25NO/c1-5-7-14(8-6-2)16-15(17)13-9-11(3)12(4)10-13/h9,14H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyPAZCCQUQKFPDFV-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide (CID 89467513) is N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide is CCCC(CCC)NC(=O)C1=CC(C)=C(C)C1.
What is the InChIKey of N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is PAZCCQUQKFPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-7-14(8-6-2)16-15(17)13-9-11(3)12(4)10-13/h9,14H,5-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide?
N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3,4-dimethylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 89467513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).