N-(4-cyanohexa-3,5-dien-2-yl)butanamide

C11H16N2O — CID 123403650

IUPACN-(4-cyanohexa-3,5-dien-2-yl)butanamide
SMILESC=CC(C#N)=CC(C)NC(=O)CCC
InChIInChI=1S/C11H16N2O/c1-4-6-11(14)13-9(3)7-10(5-2)8-12/h5,7,9H,2,4,6H2,1,3H3,(H,13,14)
InChIKeyNKRRJKOCGKFAHD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds5

About N-(4-cyanohexa-3,5-dien-2-yl)butanamide

N-(4-cyanohexa-3,5-dien-2-yl)butanamide (PubChem CID 123403650) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(4-cyanohexa-3,5-dien-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-cyanohexa-3,5-dien-2-yl)butanamide
PubChem CID123403650
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(4-cyanohexa-3,5-dien-2-yl)butanamide
SMILESC=CC(C#N)=CC(C)NC(=O)CCC
InChIInChI=1S/C11H16N2O/c1-4-6-11(14)13-9(3)7-10(5-2)8-12/h5,7,9H,2,4,6H2,1,3H3,(H,13,14)
InChIKeyNKRRJKOCGKFAHD-UHFFFAOYSA-N
XLogP1.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanoethyl)butanamide
CID 61120062
ethane;N-propan-2-ylbutanamide
CID 169175258
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
CID 110280366
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
N-hexan-2-ylbutanamide
CID 64592038
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
N,N'-di(propan-2-yl)decanediamide
CID 58997511
2-(hexanoylamino)propanoic acid
CID 2828500
N,N'-bis(1-cyanoprop-2-enyl)hexanediamide
CID 88642672

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanohexa-3,5-dien-2-yl)butanamide?
The IUPAC name of N-(4-cyanohexa-3,5-dien-2-yl)butanamide (CID 123403650) is N-(4-cyanohexa-3,5-dien-2-yl)butanamide.
What is the SMILES notation for N-(4-cyanohexa-3,5-dien-2-yl)butanamide?
The canonical SMILES for N-(4-cyanohexa-3,5-dien-2-yl)butanamide is C=CC(C#N)=CC(C)NC(=O)CCC.
What is the InChIKey of N-(4-cyanohexa-3,5-dien-2-yl)butanamide?
The InChIKey is NKRRJKOCGKFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-11(14)13-9(3)7-10(5-2)8-12/h5,7,9H,2,4,6H2,1,3H3,(H,13,14).
What are the key properties of N-(4-cyanohexa-3,5-dien-2-yl)butanamide?
N-(4-cyanohexa-3,5-dien-2-yl)butanamide has a molecular weight of 192.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanohexa-3,5-dien-2-yl)butanamide is sourced from PubChem (CID 123403650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).