methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate

C13H17NO3 — CID 744605

IUPACmethyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate
SMILESC=CCN(CC=C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C13H17NO3/c1-4-8-14(9-5-2)10-11-6-7-12(17-11)13(15)16-3/h4-7H,1-2,8-10H2,3H3
InChIKeyRYNJAYSVVGQUKW-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.24
Rot. Bonds7

About methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate

methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate (PubChem CID 744605) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate
PubChem CID744605
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate
SMILESC=CCN(CC=C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C13H17NO3/c1-4-8-14(9-5-2)10-11-6-7-12(17-11)13(15)16-3/h4-7H,1-2,8-10H2,3H3
InChIKeyRYNJAYSVVGQUKW-UHFFFAOYSA-N
XLogP2.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 580530
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
Pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
CID 756940
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
5-((Piperidin-1-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 2836318
5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 653379
2-[1-(furan-2-yl)-N-methylformamido]acetic acid
CID 784792
5-(1-Pyrrolidinylmethyl)-2-furanmethanol
CID 16494992
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}pyrrolidine
CID 892182
4-{5-[(2-Methoxyphenoxy)methyl]-2-furoyl}morpholine
CID 2193011
5-[(2-methoxyphenoxy)methyl]-N,N-dimethyl-2-furamide
CID 4170344

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate (CID 744605) is methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate is C=CCN(CC=C)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate?
The InChIKey is RYNJAYSVVGQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-8-14(9-5-2)10-11-6-7-12(17-11)13(15)16-3/h4-7H,1-2,8-10H2,3H3.
What are the key properties of methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[bis(prop-2-enyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 744605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).