(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate

C10H13NO3 — CID 122223998

IUPAC(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate
SMILESCN(C)COC(=O)/C=C/c1ccoc1
InChIInChI=1S/C10H13NO3/c1-11(2)8-14-10(12)4-3-9-5-6-13-7-9/h3-7H,8H2,1-2H3/b4-3+
InChIKeyFVOWNPZQSKOCKA-ONEGZZNKSA-N
MW195.22 g/mol
LogP1.36
Rot. Bonds4

About (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate

(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate (PubChem CID 122223998) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate.

Molecular Properties

Compound Name(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate
PubChem CID122223998
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate
SMILESCN(C)COC(=O)/C=C/c1ccoc1
InChIInChI=1S/C10H13NO3/c1-11(2)8-14-10(12)4-3-9-5-6-13-7-9/h3-7H,8H2,1-2H3/b4-3+
InChIKeyFVOWNPZQSKOCKA-ONEGZZNKSA-N
XLogP1.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(furan-3-yl)prop-2-enoate
CID 10441877
(dimethylamino)methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 122223999
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
sodium (2Z,4E)-5-(furan-3-yl)-3-methylpenta-2,4-dienoic acid
CID 126478041
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
3-(furan-3-yl)-2-methylprop-2-en-1-amine
CID 79328811
furan-3-carbaldehyde;methanamine
CID 174445708
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate?
The IUPAC name of (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate (CID 122223998) is (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate.
What is the SMILES notation for (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate?
The canonical SMILES for (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate is CN(C)COC(=O)/C=C/c1ccoc1.
What is the InChIKey of (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate?
The InChIKey is FVOWNPZQSKOCKA-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(2)8-14-10(12)4-3-9-5-6-13-7-9/h3-7H,8H2,1-2H3/b4-3+.
What are the key properties of (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate?
(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate has a molecular weight of 195.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate is sourced from PubChem (CID 122223998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).