N-penta-1,3-dien-2-ylbutanamide

C9H15NO — CID 90879471

IUPACN-penta-1,3-dien-2-ylbutanamide
SMILESC=C(C=CC)NC(=O)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)10-9(11)7-5-2/h4,6H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyCOOOXZFQEIAKOB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds4

About N-penta-1,3-dien-2-ylbutanamide

N-penta-1,3-dien-2-ylbutanamide (PubChem CID 90879471) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-penta-1,3-dien-2-ylbutanamide.

Molecular Properties

Compound NameN-penta-1,3-dien-2-ylbutanamide
PubChem CID90879471
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-penta-1,3-dien-2-ylbutanamide
SMILESC=C(C=CC)NC(=O)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)10-9(11)7-5-2/h4,6H,3,5,7H2,1-2H3,(H,10,11)
InChIKeyCOOOXZFQEIAKOB-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
CID 89418444
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
CID 144539049
N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 145422849
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]-3-oxobutanamide
CID 145550627
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726

Frequently Asked Questions

What is the IUPAC name of N-penta-1,3-dien-2-ylbutanamide?
The IUPAC name of N-penta-1,3-dien-2-ylbutanamide (CID 90879471) is N-penta-1,3-dien-2-ylbutanamide.
What is the SMILES notation for N-penta-1,3-dien-2-ylbutanamide?
The canonical SMILES for N-penta-1,3-dien-2-ylbutanamide is C=C(C=CC)NC(=O)CCC.
What is the InChIKey of N-penta-1,3-dien-2-ylbutanamide?
The InChIKey is COOOXZFQEIAKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(3)10-9(11)7-5-2/h4,6H,3,5,7H2,1-2H3,(H,10,11).
What are the key properties of N-penta-1,3-dien-2-ylbutanamide?
N-penta-1,3-dien-2-ylbutanamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-ylbutanamide is sourced from PubChem (CID 90879471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).