N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide

C12H19NO — CID 89032082

IUPACN-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide
SMILESC=C1C=CCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H19NO/c1-9-6-5-7-10(8-9)11(14)13-12(2,3)4/h5-6,10H,1,7-8H2,2-4H3,(H,13,14)
InChIKeyNRTHEFLIVXCCAK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds1

About N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide

N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide (PubChem CID 89032082) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide
PubChem CID89032082
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide
SMILESC=C1C=CCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H19NO/c1-9-6-5-7-10(8-9)11(14)13-12(2,3)4/h5-6,10H,1,7-8H2,2-4H3,(H,13,14)
InChIKeyNRTHEFLIVXCCAK-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide?
The IUPAC name of N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide (CID 89032082) is N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide is C=C1C=CCC(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide?
The InChIKey is NRTHEFLIVXCCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-5-7-10(8-9)11(14)13-12(2,3)4/h5-6,10H,1,7-8H2,2-4H3,(H,13,14).
What are the key properties of N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide?
N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methylidenecyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 89032082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).