2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide

C10H17NO — CID 15836328

IUPAC2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
SMILESC=C(C)/C=C/NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+
InChIKeyDMAKEGCBCXFYPB-VOTSOKGWSA-N
MW167.25 g/mol
LogP2.24
Rot. Bonds2

About 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide

2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide (PubChem CID 15836328) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
PubChem CID15836328
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide
SMILESC=C(C)/C=C/NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+
InChIKeyDMAKEGCBCXFYPB-VOTSOKGWSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide (CID 15836328) is 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide is C=C(C)/C=C/NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide?
The InChIKey is DMAKEGCBCXFYPB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)6-7-11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+.
What are the key properties of 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide?
2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide has a molecular weight of 167.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1E)-3-methylbuta-1,3-dienyl]propanamide is sourced from PubChem (CID 15836328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).