(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate

C7H10N4O2 — CID 66795799

IUPAC(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1nnc(C)n1
InChIInChI=1S/C7H10N4O2/c1-5(2)7(12)13-4-11-9-6(3)8-10-11/h1,4H2,2-3H3
InChIKeyZTOMPQVAUNJQRW-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds3

About (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate

(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 66795799) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate
PubChem CID66795799
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1nnc(C)n1
InChIInChI=1S/C7H10N4O2/c1-5(2)7(12)13-4-11-9-6(3)8-10-11/h1,4H2,2-3H3
InChIKeyZTOMPQVAUNJQRW-UHFFFAOYSA-N
XLogP0.06
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
magnesium bis(ethyl 2-methylprop-2-enoate)
CID 174920026
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
CID 163406071
(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
CID 86175486
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate
CID 175781994

Frequently Asked Questions

What is the IUPAC name of (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate (CID 66795799) is (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCn1nnc(C)n1.
What is the InChIKey of (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is ZTOMPQVAUNJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5(2)7(12)13-4-11-9-6(3)8-10-11/h1,4H2,2-3H3.
What are the key properties of (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate?
(5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 182.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyltetrazol-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 66795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).