N-tert-butyl-5-cyano-2-methylidenepentanamide

C11H18N2O — CID 86645798

IUPACN-tert-butyl-5-cyano-2-methylidenepentanamide
SMILESC=C(CCCC#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h1,5-7H2,2-4H3,(H,13,14)
InChIKeyNVOMACWYCAKVPW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.15
Rot. Bonds4

About N-tert-butyl-5-cyano-2-methylidenepentanamide

N-tert-butyl-5-cyano-2-methylidenepentanamide (PubChem CID 86645798) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-tert-butyl-5-cyano-2-methylidenepentanamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyano-2-methylidenepentanamide
PubChem CID86645798
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-tert-butyl-5-cyano-2-methylidenepentanamide
SMILESC=C(CCCC#N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h1,5-7H2,2-4H3,(H,13,14)
InChIKeyNVOMACWYCAKVPW-UHFFFAOYSA-N
XLogP2.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyano-2-methylidenepentanamide?
The IUPAC name of N-tert-butyl-5-cyano-2-methylidenepentanamide (CID 86645798) is N-tert-butyl-5-cyano-2-methylidenepentanamide.
What is the SMILES notation for N-tert-butyl-5-cyano-2-methylidenepentanamide?
The canonical SMILES for N-tert-butyl-5-cyano-2-methylidenepentanamide is C=C(CCCC#N)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-cyano-2-methylidenepentanamide?
The InChIKey is NVOMACWYCAKVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(7-5-6-8-12)10(14)13-11(2,3)4/h1,5-7H2,2-4H3,(H,13,14).
What are the key properties of N-tert-butyl-5-cyano-2-methylidenepentanamide?
N-tert-butyl-5-cyano-2-methylidenepentanamide has a molecular weight of 194.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyano-2-methylidenepentanamide is sourced from PubChem (CID 86645798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).