propyl 2-acetamidopent-3-enoate

C10H17NO3 — CID 54298805

IUPACpropyl 2-acetamidopent-3-enoate
SMILESCC=CC(NC(C)=O)C(=O)OCCC
InChIInChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)10(13)14-7-5-2/h4,6,9H,5,7H2,1-3H3,(H,11,12)
InChIKeySCRZEIALIFUBOP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds5

About propyl 2-acetamidopent-3-enoate

propyl 2-acetamidopent-3-enoate (PubChem CID 54298805) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propyl 2-acetamidopent-3-enoate.

Molecular Properties

Compound Namepropyl 2-acetamidopent-3-enoate
PubChem CID54298805
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropyl 2-acetamidopent-3-enoate
SMILESCC=CC(NC(C)=O)C(=O)OCCC
InChIInChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)10(13)14-7-5-2/h4,6,9H,5,7H2,1-3H3,(H,11,12)
InChIKeySCRZEIALIFUBOP-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (E,2R,6S)-2-acetamido-6-aminohept-3-enedioate
CID 125490800
N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
CID 161287310
propyl (2R)-2-acetamido-3-hydroxysulfanylpropanoate
CID 177062957
2-oxopropyl 2-[(3,3-dimethyl-2-oxobutanoyl)amino]pent-3-enoate
CID 90820181
methyl (E)-2-acetamido-5-hydroxydodec-3-enoate
CID 58572061
ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
1-methoxypropane;methyl propyl carbonate
CID 159112216
propyl 2-amino-3-oxobutanoate
CID 174900765
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
dodecyl (2R)-2-acetamido-3-selanylpropanoate
CID 154057509
dipropyl 2,3-diiodobutanedioate
CID 87640369
propyl N-(dihydroxymethyl)carbamate
CID 174469306

Frequently Asked Questions

What is the IUPAC name of propyl 2-acetamidopent-3-enoate?
The IUPAC name of propyl 2-acetamidopent-3-enoate (CID 54298805) is propyl 2-acetamidopent-3-enoate.
What is the SMILES notation for propyl 2-acetamidopent-3-enoate?
The canonical SMILES for propyl 2-acetamidopent-3-enoate is CC=CC(NC(C)=O)C(=O)OCCC.
What is the InChIKey of propyl 2-acetamidopent-3-enoate?
The InChIKey is SCRZEIALIFUBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)10(13)14-7-5-2/h4,6,9H,5,7H2,1-3H3,(H,11,12).
What are the key properties of propyl 2-acetamidopent-3-enoate?
propyl 2-acetamidopent-3-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-acetamidopent-3-enoate is sourced from PubChem (CID 54298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).