but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate

C10H14N2O2 — CID 163566468

IUPACbut-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate
SMILESC=CCCOC(=O)NC1=CNCC=C1
InChIInChI=1S/C10H14N2O2/c1-2-3-7-14-10(13)12-9-5-4-6-11-8-9/h2,4-5,8,11H,1,3,6-7H2,(H,12,13)
InChIKeyFVPVRGRLLZNTSP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.29
Rot. Bonds4

About but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate

but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate (PubChem CID 163566468) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate.

Molecular Properties

Compound Namebut-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate
PubChem CID163566468
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namebut-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate
SMILESC=CCCOC(=O)NC1=CNCC=C1
InChIInChI=1S/C10H14N2O2/c1-2-3-7-14-10(13)12-9-5-4-6-11-8-9/h2,4-5,8,11H,1,3,6-7H2,(H,12,13)
InChIKeyFVPVRGRLLZNTSP-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
bis(but-3-enyl) benzene-1,4-dicarboxylate
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but-3-enyl 2-cyclopenta-1,3-dien-1-ylacetate
CID 13062575
but-3-enyl N-(C-methylsulfanylcarbonimidoyl)carbamate
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but-3-enyl N-methylcarbamate;hept-1-ene
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CID 143807021
hept-6-enyl N-ethenylcarbamate
CID 166881876
1-but-3-enoxycarbonylcyclopropane-1-carboxylic acid
CID 151674119
2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
CID 59049064
(E)-3-amino-1-(1,2-dihydropyridin-5-yl)prop-2-en-1-one
CID 163766536
bis(but-3-enyl) 2-methylpropanedioate
CID 90481204

Frequently Asked Questions

What is the IUPAC name of but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate?
The IUPAC name of but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate (CID 163566468) is but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate.
What is the SMILES notation for but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate?
The canonical SMILES for but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate is C=CCCOC(=O)NC1=CNCC=C1.
What is the InChIKey of but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate?
The InChIKey is FVPVRGRLLZNTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-7-14-10(13)12-9-5-4-6-11-8-9/h2,4-5,8,11H,1,3,6-7H2,(H,12,13).
What are the key properties of but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate?
but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl N-(1,2-dihydropyridin-5-yl)carbamate is sourced from PubChem (CID 163566468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).