N-[3-(dimethylamino)pent-4-enyl]acetamide

C9H18N2O — CID 54029956

IUPACN-[3-(dimethylamino)pent-4-enyl]acetamide
SMILESC=CC(CCNC(C)=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(11(3)4)6-7-10-8(2)12/h5,9H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyLEWKVOKOPKXVRD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds5

About N-[3-(dimethylamino)pent-4-enyl]acetamide

N-[3-(dimethylamino)pent-4-enyl]acetamide (PubChem CID 54029956) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)pent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)pent-4-enyl]acetamide
PubChem CID54029956
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[3-(dimethylamino)pent-4-enyl]acetamide
SMILESC=CC(CCNC(C)=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-9(11(3)4)6-7-10-8(2)12/h5,9H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyLEWKVOKOPKXVRD-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)pent-4-enyl]acetamide?
The IUPAC name of N-[3-(dimethylamino)pent-4-enyl]acetamide (CID 54029956) is N-[3-(dimethylamino)pent-4-enyl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)pent-4-enyl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)pent-4-enyl]acetamide is C=CC(CCNC(C)=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)pent-4-enyl]acetamide?
The InChIKey is LEWKVOKOPKXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(11(3)4)6-7-10-8(2)12/h5,9H,1,6-7H2,2-4H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)pent-4-enyl]acetamide?
N-[3-(dimethylamino)pent-4-enyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)pent-4-enyl]acetamide is sourced from PubChem (CID 54029956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).