(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide

C11H13N5O2 — CID 960288

IUPAC(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
SMILESCCCn1nnnc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H13N5O2/c1-2-7-16-11(13-14-15-16)12-10(17)6-5-9-4-3-8-18-9/h3-6,8H,2,7H2,1H3,(H,12,13,15,17)/b6-5+
InChIKeyNLUTUUWMNOTIGJ-AATRIKPKSA-N
MW247.26 g/mol
LogP1.33
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide (PubChem CID 960288) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
PubChem CID960288
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
SMILESCCCn1nnnc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H13N5O2/c1-2-7-16-11(13-14-15-16)12-10(17)6-5-9-4-3-8-18-9/h3-6,8H,2,7H2,1H3,(H,12,13,15,17)/b6-5+
InChIKeyNLUTUUWMNOTIGJ-AATRIKPKSA-N
XLogP1.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4131067
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 903368
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 71879000
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
ethyl 2-[[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 17403936
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide (CID 960288) is (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide is CCCn1nnnc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The InChIKey is NLUTUUWMNOTIGJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-7-16-11(13-14-15-16)12-10(17)6-5-9-4-3-8-18-9/h3-6,8H,2,7H2,1H3,(H,12,13,15,17)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide has a molecular weight of 247.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 960288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).