N-tert-butyl-3-cyano-2-methylidenepentanamide

C11H18N2O — CID 140554454

IUPACN-tert-butyl-3-cyano-2-methylidenepentanamide
SMILESC=C(C(=O)NC(C)(C)C)C(C#N)CC
InChIInChI=1S/C11H18N2O/c1-6-9(7-12)8(2)10(14)13-11(3,4)5/h9H,2,6H2,1,3-5H3,(H,13,14)
InChIKeyBSMXYQMLDCDORN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.01
Rot. Bonds3

About N-tert-butyl-3-cyano-2-methylidenepentanamide

N-tert-butyl-3-cyano-2-methylidenepentanamide (PubChem CID 140554454) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-tert-butyl-3-cyano-2-methylidenepentanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyano-2-methylidenepentanamide
PubChem CID140554454
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-tert-butyl-3-cyano-2-methylidenepentanamide
SMILESC=C(C(=O)NC(C)(C)C)C(C#N)CC
InChIInChI=1S/C11H18N2O/c1-6-9(7-12)8(2)10(14)13-11(3,4)5/h9H,2,6H2,1,3-5H3,(H,13,14)
InChIKeyBSMXYQMLDCDORN-UHFFFAOYSA-N
XLogP2.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyano-2-methylidenepentanamide?
The IUPAC name of N-tert-butyl-3-cyano-2-methylidenepentanamide (CID 140554454) is N-tert-butyl-3-cyano-2-methylidenepentanamide.
What is the SMILES notation for N-tert-butyl-3-cyano-2-methylidenepentanamide?
The canonical SMILES for N-tert-butyl-3-cyano-2-methylidenepentanamide is C=C(C(=O)NC(C)(C)C)C(C#N)CC.
What is the InChIKey of N-tert-butyl-3-cyano-2-methylidenepentanamide?
The InChIKey is BSMXYQMLDCDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-9(7-12)8(2)10(14)13-11(3,4)5/h9H,2,6H2,1,3-5H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyano-2-methylidenepentanamide?
N-tert-butyl-3-cyano-2-methylidenepentanamide has a molecular weight of 194.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyano-2-methylidenepentanamide is sourced from PubChem (CID 140554454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).