N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide

C13H23NO — CID 20790233

IUPACN-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
SMILESC=CCC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO/c1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeySIYUIANAFFYQHS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.89
Rot. Bonds5

About N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide

N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide (PubChem CID 20790233) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
PubChem CID20790233
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
SMILESC=CCC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H23NO/c1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeySIYUIANAFFYQHS-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide?
The IUPAC name of N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide (CID 20790233) is N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide?
The canonical SMILES for N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide is C=CCC(CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide?
The InChIKey is SIYUIANAFFYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-11(9-10-7-8-10)12(15)14-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide?
N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide has a molecular weight of 209.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide is sourced from PubChem (CID 20790233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).