N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide

C12H19NO — CID 89088709

IUPACN-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCC(C)NC(=O)C1=CCCC=C1
InChIInChI=1S/C12H19NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyULIUAOURUSSKHV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds4

About N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide

N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 89088709) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID89088709
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCC(C)NC(=O)C1=CCCC=C1
InChIInChI=1S/C12H19NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyULIUAOURUSSKHV-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 73355665
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CID 6440539
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CID 14427412
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CID 15609890
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CID 12315250
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CID 530394
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CID 118707907
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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 89088709) is N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide is CCCC(C)NC(=O)C1=CCCC=C1.
What is the InChIKey of N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ULIUAOURUSSKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide?
N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 89088709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).