3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide

C9H17NO — CID 11469197

IUPAC3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
SMILESC/C=C\NC(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-8(11)7-9(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5-
InChIKeyDFSMJVCGPJHPTD-WAYWQWQTSA-N
MW155.24 g/mol
LogP2.07
Rot. Bonds2

About 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide

3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide (PubChem CID 11469197) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
PubChem CID11469197
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide
SMILESC/C=C\NC(=O)CC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-6-10-8(11)7-9(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5-
InChIKeyDFSMJVCGPJHPTD-WAYWQWQTSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-prop-1-enyl]pentanamide
CID 121306108
N-acetyl-3,3-dimethylbutanamide
CID 59565837
2-phenyl-N-[(Z)-prop-1-enyl]acetamide
CID 124527116
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
tert-butyl N-[2-[[(E)-prop-1-enyl]carbamoylamino]ethyl]carbamate
CID 108909751
3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
CID 58938787
2-(3,3-dimethylbutyl)-1-methylidene-3-[(Z)-prop-1-enyl]guanidine
CID 137429327
N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
CID 59184455
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
2-methyl-N-prop-1-enylpropanamide
CID 74003978
(E)-N-ethyl-3-[[(E)-prop-1-enyl]amino]but-2-enamide
CID 143920336

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide (CID 11469197) is 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide is C/C=C\NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide?
The InChIKey is DFSMJVCGPJHPTD-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-10-8(11)7-9(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5-.
What are the key properties of 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide?
3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide has a molecular weight of 155.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(Z)-prop-1-enyl]butanamide is sourced from PubChem (CID 11469197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).