sodium 3-cyclopropyl-2-methylprop-2-enoate

C7H9NaO2 — CID 175580968

IUPACsodium 3-cyclopropyl-2-methylprop-2-enoate
SMILESCC(=CC1CC1)C(=O)[O-].[Na+]
InChIInChI=1S/C7H10O2.Na/c1-5(7(8)9)4-6-2-3-6;/h4,6H,2-3H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyQNIGZCHGQGSBSW-UHFFFAOYSA-M
MW148.14 g/mol
LogP-2.90
Rot. Bonds2

About sodium 3-cyclopropyl-2-methylprop-2-enoate

sodium 3-cyclopropyl-2-methylprop-2-enoate (PubChem CID 175580968) has the molecular formula C7H9NaO2 and a molecular weight of 148.14 g/mol. Its IUPAC name is sodium 3-cyclopropyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namesodium 3-cyclopropyl-2-methylprop-2-enoate
PubChem CID175580968
Molecular FormulaC7H9NaO2
Molecular Weight148.14 g/mol
Exact Mass148.05
IUPAC Namesodium 3-cyclopropyl-2-methylprop-2-enoate
SMILESCC(=CC1CC1)C(=O)[O-].[Na+]
InChIInChI=1S/C7H10O2.Na/c1-5(7(8)9)4-6-2-3-6;/h4,6H,2-3H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyQNIGZCHGQGSBSW-UHFFFAOYSA-M
XLogP-2.90
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
4-(2-carboxyprop-1-enyl)cyclohexane-1-carboxylic acid
CID 66772843
2-methyl-3-(4-sulfanylcyclohexyl)prop-2-enamide
CID 87651803
S-cyclopentyl 3-cyclopentyl-2-methylprop-2-enethioate
CID 91053037
(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
CID 20611019
2-methylbut-2-enoate
CID 20982153
potassium;sodium;diacetate
CID 21470705
gallium tris((Z)-2-methylbut-2-enoate)
CID 175178881
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
3-(diazepan-5-yl)-2-methylprop-2-enamide
CID 68640483
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
(E)-1-cyclopropylprop-1-en-2-amine
CID 147966539

Frequently Asked Questions

What is the IUPAC name of sodium 3-cyclopropyl-2-methylprop-2-enoate?
The IUPAC name of sodium 3-cyclopropyl-2-methylprop-2-enoate (CID 175580968) is sodium 3-cyclopropyl-2-methylprop-2-enoate.
What is the SMILES notation for sodium 3-cyclopropyl-2-methylprop-2-enoate?
The canonical SMILES for sodium 3-cyclopropyl-2-methylprop-2-enoate is CC(=CC1CC1)C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-cyclopropyl-2-methylprop-2-enoate?
The InChIKey is QNIGZCHGQGSBSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O2.Na/c1-5(7(8)9)4-6-2-3-6;/h4,6H,2-3H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 3-cyclopropyl-2-methylprop-2-enoate?
sodium 3-cyclopropyl-2-methylprop-2-enoate has a molecular weight of 148.14 g/mol, XLogP of -2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-cyclopropyl-2-methylprop-2-enoate is sourced from PubChem (CID 175580968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).